(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

C18H22ClNO — CID 81374122

IUPAC(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12-9-10-18(21-4)16(11-12)14(3)20-13(2)15-7-5-6-8-17(15)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyDEHYTDNQNDQKTF-LSLKUGRBSA-N
MW303.83 g/mol
LogP5.07
Rot. Bonds5

About (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (PubChem CID 81374122) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
PubChem CID81374122
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12-9-10-18(21-4)16(11-12)14(3)20-13(2)15-7-5-6-8-17(15)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1
InChIKeyDEHYTDNQNDQKTF-LSLKUGRBSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]ethanamine
CID 81374017
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine (CID 81374122) is (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is COc1ccc(C)cc1C(C)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
The InChIKey is DEHYTDNQNDQKTF-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-9-10-18(21-4)16(11-12)14(3)20-13(2)15-7-5-6-8-17(15)19/h5-11,13-14,20H,1-4H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81374122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).