[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine

C15H17ClN2 — CID 115212992

IUPAC[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
SMILESNCc1cccc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2/c16-15-6-4-12(5-7-15)10-18-11-14-3-1-2-13(8-14)9-17/h1-8,18H,9-11,17H2
InChIKeyUIKYRXZOTACJEB-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.09
Rot. Bonds5

About [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine

[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine (PubChem CID 115212992) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
PubChem CID115212992
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
SMILESNCc1cccc(CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2/c16-15-6-4-12(5-7-15)10-18-11-14-3-1-2-13(8-14)9-17/h1-8,18H,9-11,17H2
InChIKeyUIKYRXZOTACJEB-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
1-[[3-(aminomethyl)phenyl]methyl]-3-[[4-[[[3-(aminomethyl)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl]thiourea
CID 10743755
(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
CID 87654409
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
3-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845585
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
CID 145380896
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine?
The IUPAC name of [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine (CID 115212992) is [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine is NCc1cccc(CNCc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine?
The InChIKey is UIKYRXZOTACJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-15-6-4-12(5-7-15)10-18-11-14-3-1-2-13(8-14)9-17/h1-8,18H,9-11,17H2.
What are the key properties of [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine?
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine has a molecular weight of 260.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 115212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).