(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine

C16H18ClNO — CID 106861855

IUPAC(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(COc2ccccc2[C@H](C)N)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)10-19-16-6-4-3-5-14(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyHCKXGZZLZMVGNS-LBPRGKRZSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 106861855) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID106861855
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccc(COc2ccccc2[C@H](C)N)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)10-19-16-6-4-3-5-14(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyHCKXGZZLZMVGNS-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

1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine (CID 106861855) is (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine is Cc1ccc(COc2ccccc2[C@H](C)N)c(Cl)c1.
What is the InChIKey of (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is HCKXGZZLZMVGNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-7-8-13(15(17)9-11)10-19-16-6-4-3-5-14(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]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-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 106861855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).