1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine

C17H29N — CID 105018498

IUPAC1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cccc(CC)c1
InChIInChI=1S/C17H29N/c1-5-9-15(10-6-2)17(18-4)16-12-8-11-14(7-3)13-16/h8,11-13,15,17-18H,5-7,9-10H2,1-4H3
InChIKeyLDGIHGFEGGPJAQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.73
Rot. Bonds8

About 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine

1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 105018498) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
PubChem CID105018498
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cccc(CC)c1
InChIInChI=1S/C17H29N/c1-5-9-15(10-6-2)17(18-4)16-12-8-11-14(7-3)13-16/h8,11-13,15,17-18H,5-7,9-10H2,1-4H3
InChIKeyLDGIHGFEGGPJAQ-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-ethylphenyl)-N-methyl-2-propylpentan-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

1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
2-ethoxy-1-(3-ethylphenyl)-N-methyl-2-phenylethanamine
CID 116773666
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82984028
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
1-(3-bromo-4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82983946
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
methyl 2-(3-ethylphenyl)pentanoate
CID 142878372
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine (CID 105018498) is 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1cccc(CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is LDGIHGFEGGPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-15(10-6-2)17(18-4)16-12-8-11-14(7-3)13-16/h8,11-13,15,17-18H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine?
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 105018498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).