N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine

C21H29N2O2P — CID 129470795

IUPACN-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C21H29N2O2P/c1-16(2)19-13-12-17(3)15-20(19)25-26(24,18-9-5-4-6-10-18)23-21-11-7-8-14-22-21/h4-11,14,16-17,19-20H,12-13,15H2,1-3H3,(H,22,23,24)/t17-,19-,20-,26-/m1/s1
InChIKeyZOUQTPPIGLPWOG-REMZYBCOSA-N
MW372.45 g/mol
LogP5.49
Rot. Bonds6

About N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine

N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine (PubChem CID 129470795) has the molecular formula C21H29N2O2P and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine
PubChem CID129470795
Molecular FormulaC21H29N2O2P
Molecular Weight372.45 g/mol
Exact Mass372.20
IUPAC NameN-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C21H29N2O2P/c1-16(2)19-13-12-17(3)15-20(19)25-26(24,18-9-5-4-6-10-18)23-21-11-7-8-14-22-21/h4-11,14,16-17,19-20H,12-13,15H2,1-3H3,(H,22,23,24)/t17-,19-,20-,26-/m1/s1
InChIKeyZOUQTPPIGLPWOG-REMZYBCOSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine
CID 11914617
N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11907532
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942
4-ethoxy-N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]aniline
CID 11864676
4-ethoxy-N-[[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]aniline
CID 11914102
N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine
CID 11909076
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
N-[[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-pyridin-3-ylmethanamine
CID 25358059
1,4-bis[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy]benzene
CID 102226548

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine?
The IUPAC name of N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine (CID 129470795) is N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine.
What is the SMILES notation for N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine?
The canonical SMILES for N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine is CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1.
What is the InChIKey of N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine?
The InChIKey is ZOUQTPPIGLPWOG-REMZYBCOSA-N. The full InChI is InChI=1S/C21H29N2O2P/c1-16(2)19-13-12-17(3)15-20(19)25-26(24,18-9-5-4-6-10-18)23-21-11-7-8-14-22-21/h4-11,14,16-17,19-20H,12-13,15H2,1-3H3,(H,22,23,24)/t17-,19-,20-,26-/m1/s1.
What are the key properties of N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine?
N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine has a molecular weight of 372.45 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine is sourced from PubChem (CID 129470795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).