[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine

C16H18ClNO — CID 114322356

IUPAC[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
SMILESCCc1ccc(COc2cc(Cl)ccc2CN)cc1
InChIInChI=1S/C16H18ClNO/c1-2-12-3-5-13(6-4-12)11-19-16-9-15(17)8-7-14(16)10-18/h3-9H,2,10-11,18H2,1H3
InChIKeyGVUOGKYKAWONCU-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.94
Rot. Bonds5

About [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine

[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine (PubChem CID 114322356) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
PubChem CID114322356
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
SMILESCCc1ccc(COc2cc(Cl)ccc2CN)cc1
InChIInChI=1S/C16H18ClNO/c1-2-12-3-5-13(6-4-12)11-19-16-9-15(17)8-7-14(16)10-18/h3-9H,2,10-11,18H2,1H3
InChIKeyGVUOGKYKAWONCU-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069151
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine (CID 114322356) is [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine is CCc1ccc(COc2cc(Cl)ccc2CN)cc1.
What is the InChIKey of [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine?
The InChIKey is GVUOGKYKAWONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-12-3-5-13(6-4-12)11-19-16-9-15(17)8-7-14(16)10-18/h3-9H,2,10-11,18H2,1H3.
What are the key properties of [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine?
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114322356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).