N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine

C17H28ClN — CID 65304678

IUPACN-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-16(2,3)19-13-12-17(4,5)11-10-14-6-8-15(18)9-7-14/h6-9,19H,10-13H2,1-5H3
InChIKeyDEQZDDCFWUGLMU-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.08
Rot. Bonds6

About N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine

N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine (PubChem CID 65304678) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
PubChem CID65304678
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-16(2,3)19-13-12-17(4,5)11-10-14-6-8-15(18)9-7-14/h6-9,19H,10-13H2,1-5H3
InChIKeyDEQZDDCFWUGLMU-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-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

N-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
CID 10879673
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303764
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566
N-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]-2-methylpropan-2-amine
CID 114792066
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
CID 81033423
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304714

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine (CID 65304678) is N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine is CC(C)(CCNC(C)(C)C)CCc1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine?
The InChIKey is DEQZDDCFWUGLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-16(2,3)19-13-12-17(4,5)11-10-14-6-8-15(18)9-7-14/h6-9,19H,10-13H2,1-5H3.
What are the key properties of N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine?
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).