(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine

C18H22ClNO — CID 175732345

IUPAC(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(C(C)N[C@H](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(11-16-7-4-5-10-18(16)19)20-14(2)15-8-6-9-17(12-15)21-3/h4-10,12-14,20H,11H2,1-3H3/t13-,14?/m1/s1
InChIKeyNVQURHKRTWUFCB-KWCCSABGSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds6

About (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine

(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 175732345) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID175732345
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(C(C)N[C@H](C)Cc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(11-16-7-4-5-10-18(16)19)20-14(2)15-8-6-9-17(12-15)21-3/h4-10,12-14,20H,11H2,1-3H3/t13-,14?/m1/s1
InChIKeyNVQURHKRTWUFCB-KWCCSABGSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine (CID 175732345) is (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine is COc1cccc(C(C)N[C@H](C)Cc2ccccc2Cl)c1.
What is the InChIKey of (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is NVQURHKRTWUFCB-KWCCSABGSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(11-16-7-4-5-10-18(16)19)20-14(2)15-8-6-9-17(12-15)21-3/h4-10,12-14,20H,11H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine?
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 175732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).