N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine

C17H20ClNO — CID 114855696

IUPACN-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-17(2,3)19-12-13-9-10-14(18)11-16(13)20-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3
InChIKeyODIURETWFXWRQN-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.02
Rot. Bonds4

About N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 114855696) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID114855696
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-17(2,3)19-12-13-9-10-14(18)11-16(13)20-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3
InChIKeyODIURETWFXWRQN-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[[4-chloro-2-(2-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114856355
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
CID 88794834
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine (CID 114855696) is N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Cl)cc1Oc1ccccc1.
What is the InChIKey of N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ODIURETWFXWRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-17(2,3)19-12-13-9-10-14(18)11-16(13)20-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114855696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).