(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine

C10H14ClN — CID 130671218

IUPAC(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H14ClN/c1-7-4-9(8(2)12-3)6-10(11)5-7/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyVEWZNVWBDXUGSR-QMMMGPOBSA-N
MW183.68 g/mol
LogP2.93
Rot. Bonds2

About (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine

(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine (PubChem CID 130671218) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
PubChem CID130671218
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H14ClN/c1-7-4-9(8(2)12-3)6-10(11)5-7/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyVEWZNVWBDXUGSR-QMMMGPOBSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 82539969
2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
CID 130785554
1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81323562

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine (CID 130671218) is (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine is CN[C@@H](C)c1cc(C)cc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine?
The InChIKey is VEWZNVWBDXUGSR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-4-9(8(2)12-3)6-10(11)5-7/h4-6,8,12H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine?
(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 130671218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).