4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine

C17H29N — CID 65429139

IUPAC4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-5-15(4)11-17(13-18-12-14(2)3)16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3
InChIKeyPXHHRSOZMLUVGH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.45
Rot. Bonds8

About 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine

4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine (PubChem CID 65429139) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
PubChem CID65429139
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H29N/c1-5-15(4)11-17(13-18-12-14(2)3)16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3
InChIKeyPXHHRSOZMLUVGH-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62417159
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-benzyl-2-phenylbutan-1-amine
CID 60658494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine (CID 65429139) is 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine is CCC(C)CC(CNCC(C)C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
The InChIKey is PXHHRSOZMLUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-15(4)11-17(13-18-12-14(2)3)16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine?
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine is sourced from PubChem (CID 65429139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).