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

C18H22ClNO — CID 81375155

IUPAC(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccccc1CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)21-18-11-7-4-8-15(18)12-20-14(3)16-9-5-6-10-17(16)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1
InChIKeyYXFHDXKFQYZYFM-CQSZACIVSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds6

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

(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 81375155) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID81375155
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccccc1CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)21-18-11-7-4-8-15(18)12-20-14(3)16-9-5-6-10-17(16)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1
InChIKeyYXFHDXKFQYZYFM-CQSZACIVSA-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

1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39447537
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008256

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 81375155) is (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1ccccc1CN[C@H](C)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is YXFHDXKFQYZYFM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)21-18-11-7-4-8-15(18)12-20-14(3)16-9-5-6-10-17(16)19/h4-11,13-14,20H,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[(2-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 (1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81375155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).