4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine

C16H27N — CID 65430791

IUPAC4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-14(4)11-16(12-17-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3
InChIKeyYSXHPAZVNSCHLU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.20
Rot. Bonds7

About 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine

4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine (PubChem CID 65430791) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
PubChem CID65430791
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-14(4)11-16(12-17-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3
InChIKeyYSXHPAZVNSCHLU-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-phenyl-N-propan-2-ylhexan-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-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
azane;pentan-3-ylbenzene
CID 19774895
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
CID 115887797
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 158429198
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine (CID 65430791) is 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine is CCC(C)CC(CNC(C)C)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The InChIKey is YSXHPAZVNSCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-14(4)11-16(12-17-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3.
What are the key properties of 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65430791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).