N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine

C19H24ClN — CID 106817114

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
SMILESCc1ccc(CNC(C)(C)CCc2ccccc2)cc1Cl
InChIInChI=1S/C19H24ClN/c1-15-9-10-17(13-18(15)20)14-21-19(2,3)12-11-16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyKFVZUQXUQQPVRJ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.15
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine

N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine (PubChem CID 106817114) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
PubChem CID106817114
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
SMILESCc1ccc(CNC(C)(C)CCc2ccccc2)cc1Cl
InChIInChI=1S/C19H24ClN/c1-15-9-10-17(13-18(15)20)14-21-19(2,3)12-11-16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyKFVZUQXUQQPVRJ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
4-chloro-2-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621723
N-benzyl-3-chloro-4-methylaniline
CID 18778604
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine (CID 106817114) is N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine is Cc1ccc(CNC(C)(C)CCc2ccccc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine?
The InChIKey is KFVZUQXUQQPVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-15-9-10-17(13-18(15)20)14-21-19(2,3)12-11-16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine?
N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 106817114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).