(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine

C17H20ClNO — CID 79700112

IUPAC(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C(C)C)cc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h4-11,17H,19H2,1-3H3
InChIKeyAODYANPAGJUBJG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.52
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 79700112) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID79700112
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C(C)C)cc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h4-11,17H,19H2,1-3H3
InChIKeyAODYANPAGJUBJG-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105007097
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103373770
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(1S)-1-(4-chloro-3-methoxyphenyl)prop-2-en-1-amine
CID 55270647
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine (CID 79700112) is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine is COc1cc(C(N)c2ccc(C(C)C)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is AODYANPAGJUBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h4-11,17H,19H2,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 79700112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).