N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine

C16H18ClN — CID 54910961

IUPACN-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-12(2)18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-10,12,18H,11H2,1-2H3
InChIKeyPUFYSCPQFXRKRJ-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.51
Rot. Bonds4

About N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine

N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine (PubChem CID 54910961) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
PubChem CID54910961
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-12(2)18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-10,12,18H,11H2,1-2H3
InChIKeyPUFYSCPQFXRKRJ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
N-[(2-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645083
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
2-[[2-(2-chlorophenyl)phenyl]methylamino]acetamide
CID 19105319
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine (CID 54910961) is N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1-c1ccccc1Cl.
What is the InChIKey of N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine?
The InChIKey is PUFYSCPQFXRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12(2)18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine?
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine has a molecular weight of 259.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54910961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).