(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

C16H19ClN2 — CID 97246942

IUPAC(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Cl)nc1
InChIInChI=1S/C16H19ClN2/c1-11-6-4-5-7-15(11)13(3)19-12(2)14-8-9-16(17)18-10-14/h4-10,12-13,19H,1-3H3/t12-,13-/m0/s1
InChIKeyGXAWQDPERRPICM-STQMWFEESA-N
MW274.80 g/mol
LogP4.46
Rot. Bonds4

About (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 97246942) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
PubChem CID97246942
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Cl)nc1
InChIInChI=1S/C16H19ClN2/c1-11-6-4-5-7-15(11)13(3)19-12(2)14-8-9-16(17)18-10-14/h4-10,12-13,19H,1-3H3/t12-,13-/m0/s1
InChIKeyGXAWQDPERRPICM-STQMWFEESA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706906
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81363776
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-cyclobutylethanamine
CID 115896493
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (CID 97246942) is (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Cl)nc1.
What is the InChIKey of (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is GXAWQDPERRPICM-STQMWFEESA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-6-4-5-7-15(11)13(3)19-12(2)14-8-9-16(17)18-10-14/h4-10,12-13,19H,1-3H3/t12-,13-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 274.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 97246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).