(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C18H22ClNO — CID 81375061

IUPAC(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)21-16-8-6-7-15(11-16)12-20-14(3)17-9-4-5-10-18(17)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m0/s1
InChIKeySBIUQUXTWWHAEO-AWEZNQCLSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds6

About (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 81375061) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID81375061
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)21-16-8-6-7-15(11-16)12-20-14(3)17-9-4-5-10-18(17)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m0/s1
InChIKeySBIUQUXTWWHAEO-AWEZNQCLSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81375367
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 81375061) is (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1cccc(CN[C@@H](C)c2ccccc2Cl)c1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is SBIUQUXTWWHAEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)21-16-8-6-7-15(11-16)12-20-14(3)17-9-4-5-10-18(17)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.98, 6 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-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81375061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).