1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine

C16H18ClNO — CID 82541808

IUPAC1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(C)cc1-c1cc(C(C)N)ccc1Cl
InChIInChI=1S/C16H18ClNO/c1-10-4-7-16(19-3)14(8-10)13-9-12(11(2)18)5-6-15(13)17/h4-9,11H,18H2,1-3H3
InChIKeyOIFCRCKAYNMNFY-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.34
Rot. Bonds3

About 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine

1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine (PubChem CID 82541808) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
PubChem CID82541808
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(C)cc1-c1cc(C(C)N)ccc1Cl
InChIInChI=1S/C16H18ClNO/c1-10-4-7-16(19-3)14(8-10)13-9-12(11(2)18)5-6-15(13)17/h4-9,11H,18H2,1-3H3
InChIKeyOIFCRCKAYNMNFY-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
CID 82541770
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
1-[5-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethanamine
CID 82541817
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine (CID 82541808) is 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine is COc1ccc(C)cc1-c1cc(C(C)N)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The InChIKey is OIFCRCKAYNMNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-4-7-16(19-3)14(8-10)13-9-12(11(2)18)5-6-15(13)17/h4-9,11H,18H2,1-3H3.
What are the key properties of 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).