N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine

C16H26ClN — CID 81015548

IUPACN-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-12(13(2)11-18-16(3,4)5)9-14-7-6-8-15(17)10-14/h6-8,10,12-13,18H,9,11H2,1-5H3
InChIKeyLKEYRSDGMGFTRA-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.54
Rot. Bonds5

About N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine

N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine (PubChem CID 81015548) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
PubChem CID81015548
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-12(13(2)11-18-16(3,4)5)9-14-7-6-8-15(17)10-14/h6-8,10,12-13,18H,9,11H2,1-5H3
InChIKeyLKEYRSDGMGFTRA-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-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

4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 114935164
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
CID 63521505
N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
3-[(3-chlorophenyl)methyl]-4-methylpentan-2-ol
CID 62914608

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine (CID 81015548) is N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine is CC(CNC(C)(C)C)C(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is LKEYRSDGMGFTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-12(13(2)11-18-16(3,4)5)9-14-7-6-8-15(17)10-14/h6-8,10,12-13,18H,9,11H2,1-5H3.
What are the key properties of N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine?
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81015548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).