(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

C18H23ClN2 — CID 81375605

IUPAC(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)c2ccccc2Cl)c(C)n1
InChIInChI=1S/C18H23ClN2/c1-11-10-12(2)20-14(4)18(11)15(5)21-13(3)16-8-6-7-9-17(16)19/h6-10,13,15,21H,1-5H3/t13-,15?/m0/s1
InChIKeyXDOJRPBDQFVORZ-CFMCSPIPSA-N
MW302.85 g/mol
LogP5.07
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (PubChem CID 81375605) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
PubChem CID81375605
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)c2ccccc2Cl)c(C)n1
InChIInChI=1S/C18H23ClN2/c1-11-10-12(2)20-14(4)18(11)15(5)21-13(3)16-8-6-7-9-17(16)19/h6-10,13,15,21H,1-5H3/t13-,15?/m0/s1
InChIKeyXDOJRPBDQFVORZ-CFMCSPIPSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
(1S)-1-(4-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81348689
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43772215
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43760599
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (CID 81375605) is (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is Cc1cc(C)c(C(C)N[C@@H](C)c2ccccc2Cl)c(C)n1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The InChIKey is XDOJRPBDQFVORZ-CFMCSPIPSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-11-10-12(2)20-14(4)18(11)15(5)21-13(3)16-8-6-7-9-17(16)19/h6-10,13,15,21H,1-5H3/t13-,15?/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine has a molecular weight of 302.85 g/mol, XLogP of 5.07, 4 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-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 81375605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).