4-methyl-2-phenyl-N-propylheptan-1-amine

C17H29N — CID 65430595

IUPAC4-methyl-2-phenyl-N-propylheptan-1-amine
SMILESCCCNCC(CC(C)CCC)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-9-15(3)13-17(14-18-12-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,4-5,9,12-14H2,1-3H3
InChIKeyUCLCPMHIFDVCEU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.60
Rot. Bonds9

About 4-methyl-2-phenyl-N-propylheptan-1-amine

4-methyl-2-phenyl-N-propylheptan-1-amine (PubChem CID 65430595) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-propylheptan-1-amine
PubChem CID65430595
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-2-phenyl-N-propylheptan-1-amine
SMILESCCCNCC(CC(C)CCC)c1ccccc1
InChIInChI=1S/C17H29N/c1-4-9-15(3)13-17(14-18-12-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,4-5,9,12-14H2,1-3H3
InChIKeyUCLCPMHIFDVCEU-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-propylnonan-1-amine
CID 65429485
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
CID 79441623
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
4-methylheptan-2-ylbenzene
CID 21055597
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
2-phenyl-N-propyloct-6-yn-1-amine
CID 113456169
2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-propylheptan-1-amine?
The IUPAC name of 4-methyl-2-phenyl-N-propylheptan-1-amine (CID 65430595) is 4-methyl-2-phenyl-N-propylheptan-1-amine.
What is the SMILES notation for 4-methyl-2-phenyl-N-propylheptan-1-amine?
The canonical SMILES for 4-methyl-2-phenyl-N-propylheptan-1-amine is CCCNCC(CC(C)CCC)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenyl-N-propylheptan-1-amine?
The InChIKey is UCLCPMHIFDVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-9-15(3)13-17(14-18-12-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,4-5,9,12-14H2,1-3H3.
What are the key properties of 4-methyl-2-phenyl-N-propylheptan-1-amine?
4-methyl-2-phenyl-N-propylheptan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.60, 9 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-propylheptan-1-amine is sourced from PubChem (CID 65430595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).