[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine

C15H16ClNO — CID 62669892

IUPAC[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2cccc(CN)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-5-6-15(14(16)7-11)18-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyKOSIZIWXKUAZBK-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.69
Rot. Bonds4

About [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine

[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 62669892) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
PubChem CID62669892
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2cccc(CN)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-5-6-15(14(16)7-11)18-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyKOSIZIWXKUAZBK-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
CID 43804629
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine (CID 62669892) is [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine is Cc1ccc(OCc2cccc(CN)c2)c(Cl)c1.
What is the InChIKey of [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is KOSIZIWXKUAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-5-6-15(14(16)7-11)18-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine?
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 261.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 62669892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).