N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine

C15H24ClN — CID 114099433

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCc1ccc(CNCC(C)(C)C(C)C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-11(2)15(4,5)10-17-9-13-7-6-12(3)14(16)8-13/h6-8,11,17H,9-10H2,1-5H3
InChIKeyVLJDGDVCQBDQJR-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.42
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine

N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine (PubChem CID 114099433) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine
PubChem CID114099433
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine
SMILESCc1ccc(CNCC(C)(C)C(C)C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-11(2)15(4,5)10-17-9-13-7-6-12(3)14(16)8-13/h6-8,11,17H,9-10H2,1-5H3
InChIKeyVLJDGDVCQBDQJR-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
tert-butyl N-[4-[(3-chloro-4-methylphenyl)methylamino]butan-2-yl]carbamate
CID 107246957
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
N-[[4-(2-aminoethyl)phenyl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100591
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine (CID 114099433) is N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine is Cc1ccc(CNCC(C)(C)C(C)C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine?
The InChIKey is VLJDGDVCQBDQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11(2)15(4,5)10-17-9-13-7-6-12(3)14(16)8-13/h6-8,11,17H,9-10H2,1-5H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine?
N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.42, 5 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]-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 114099433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).