N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine

C16H18ClNO — CID 60753020

IUPACN-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-19-12-15-4-2-13(3-5-15)10-18-11-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3
InChIKeyYQWBFGMVFGQQSZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.78
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine

N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine (PubChem CID 60753020) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
PubChem CID60753020
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccc(CNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-19-12-15-4-2-13(3-5-15)10-18-11-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3
InChIKeyYQWBFGMVFGQQSZ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111131718
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245
N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine (CID 60753020) is N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine is COCc1ccc(CNCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine?
The InChIKey is YQWBFGMVFGQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-12-15-4-2-13(3-5-15)10-18-11-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine?
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 60753020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).