(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine

C16H18ClNO — CID 63366646

IUPAC(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccc(Cl)cc1[C@H](C)N
InChIInChI=1S/C16H18ClNO/c1-11-5-3-4-6-13(11)10-19-16-8-7-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyMRGWIXJLCZSUQO-LBPRGKRZSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 63366646) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID63366646
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1ccccc1COc1ccc(Cl)cc1[C@H](C)N
InChIInChI=1S/C16H18ClNO/c1-11-5-3-4-6-13(11)10-19-16-8-7-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyMRGWIXJLCZSUQO-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-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine (CID 63366646) is (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine is Cc1ccccc1COc1ccc(Cl)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is MRGWIXJLCZSUQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-5-3-4-6-13(11)10-19-16-8-7-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[5-chloro-2-[(2-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-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63366646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).