trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine

C22H30N2O2 — CID 11314223

IUPACtrans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
SMILESCOc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-14,21-24H,3-6,15-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyNYHUNUXCWYCUNU-FGZHOGPDSA-N
MW354.49 g/mol
LogP3.89
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 11314223) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID11314223
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
SMILESCOc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-14,21-24H,3-6,15-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyNYHUNUXCWYCUNU-FGZHOGPDSA-N
XLogP3.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
CID 173186747
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine (CID 11314223) is trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine is COc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(OC)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is NYHUNUXCWYCUNU-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-14,21-24H,3-6,15-16H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 354.49 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 11314223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).