(4-benzyl-3-chloro-5-methoxyphenyl)methanamine

C15H16ClNO — CID 91201266

IUPAC(4-benzyl-3-chloro-5-methoxyphenyl)methanamine
SMILESCOc1cc(CN)cc(Cl)c1Cc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-9-12(10-17)8-14(16)13(15)7-11-5-3-2-4-6-11/h2-6,8-9H,7,10,17H2,1H3
InChIKeyPEVSSBWIFVLULK-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.40
Rot. Bonds4

About (4-benzyl-3-chloro-5-methoxyphenyl)methanamine

(4-benzyl-3-chloro-5-methoxyphenyl)methanamine (PubChem CID 91201266) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (4-benzyl-3-chloro-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-benzyl-3-chloro-5-methoxyphenyl)methanamine
PubChem CID91201266
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(4-benzyl-3-chloro-5-methoxyphenyl)methanamine
SMILESCOc1cc(CN)cc(Cl)c1Cc1ccccc1
InChIInChI=1S/C15H16ClNO/c1-18-15-9-12(10-17)8-14(16)13(15)7-11-5-3-2-4-6-11/h2-6,8-9H,7,10,17H2,1H3
InChIKeyPEVSSBWIFVLULK-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 20986328
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-chloro-5-methoxyphenyl)methanamine?
The IUPAC name of (4-benzyl-3-chloro-5-methoxyphenyl)methanamine (CID 91201266) is (4-benzyl-3-chloro-5-methoxyphenyl)methanamine.
What is the SMILES notation for (4-benzyl-3-chloro-5-methoxyphenyl)methanamine?
The canonical SMILES for (4-benzyl-3-chloro-5-methoxyphenyl)methanamine is COc1cc(CN)cc(Cl)c1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3-chloro-5-methoxyphenyl)methanamine?
The InChIKey is PEVSSBWIFVLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-18-15-9-12(10-17)8-14(16)13(15)7-11-5-3-2-4-6-11/h2-6,8-9H,7,10,17H2,1H3.
What are the key properties of (4-benzyl-3-chloro-5-methoxyphenyl)methanamine?
(4-benzyl-3-chloro-5-methoxyphenyl)methanamine has a molecular weight of 261.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-chloro-5-methoxyphenyl)methanamine is sourced from PubChem (CID 91201266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).