2,4-dimethyl-2-phenyl-N-propylhexan-3-amine

C17H29N — CID 79446921

IUPAC2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
SMILESCCCNC(C(C)CC)C(C)(C)c1ccccc1
InChIInChI=1S/C17H29N/c1-6-13-18-16(14(3)7-2)17(4,5)15-11-9-8-10-12-15/h8-12,14,16,18H,6-7,13H2,1-5H3
InChIKeyJRGFEOCWPCLNMG-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds7

About 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine

2,4-dimethyl-2-phenyl-N-propylhexan-3-amine (PubChem CID 79446921) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
PubChem CID79446921
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
SMILESCCCNC(C(C)CC)C(C)(C)c1ccccc1
InChIInChI=1S/C17H29N/c1-6-13-18-16(14(3)7-2)17(4,5)15-11-9-8-10-12-15/h8-12,14,16,18H,6-7,13H2,1-5H3
InChIKeyJRGFEOCWPCLNMG-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
N,2,4-trimethyl-2-phenylheptan-3-amine
CID 107893976
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
(3,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 154351099
2-methyl-2-phenyl-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 63084520
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 43494143
N,2,4-trimethyl-2-phenylpentan-3-amine
CID 21032330
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
3-phenyl-N-propylpentan-2-amine
CID 66438754

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine?
The IUPAC name of 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine (CID 79446921) is 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine.
What is the SMILES notation for 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine?
The canonical SMILES for 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine is CCCNC(C(C)CC)C(C)(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine?
The InChIKey is JRGFEOCWPCLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-13-18-16(14(3)7-2)17(4,5)15-11-9-8-10-12-15/h8-12,14,16,18H,6-7,13H2,1-5H3.
What are the key properties of 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine?
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-phenyl-N-propylhexan-3-amine is sourced from PubChem (CID 79446921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).