(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine

C16H18ClNO — CID 78947420

IUPAC(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyIOGPVUBHIYEIKL-LBPRGKRZSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine

(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 78947420) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID78947420
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyIOGPVUBHIYEIKL-LBPRGKRZSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine (CID 78947420) is (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCc2cccc(Cl)c2)c1.
What is the InChIKey of (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is IOGPVUBHIYEIKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine?
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 78947420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).