N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine

C19H24ClN — CID 43740426

IUPACN-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-19(2,3)13-18(15-9-5-4-6-10-15)21-14-16-11-7-8-12-17(16)20/h4-12,18,21H,13-14H2,1-3H3
InChIKeyVKDPYMYUHCMBHY-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.61
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine

N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 43740426) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
PubChem CID43740426
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-19(2,3)13-18(15-9-5-4-6-10-15)21-14-16-11-7-8-12-17(16)20/h4-12,18,21H,13-14H2,1-3H3
InChIKeyVKDPYMYUHCMBHY-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
CID 62133141
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
N-hex-5-ynyl-3,3-dimethyl-1-phenylbutan-1-amine
CID 106209698
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 103605736

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine (CID 43740426) is N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine is CC(C)(C)CC(NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is VKDPYMYUHCMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-19(2,3)13-18(15-9-5-4-6-10-15)21-14-16-11-7-8-12-17(16)20/h4-12,18,21H,13-14H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine?
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43740426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).