3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine

C16H27NO — CID 116720474

IUPAC3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1)C(OC)C(C)C
InChIInChI=1S/C16H27NO/c1-5-11-17-15(16(18-4)13(2)3)12-14-9-7-6-8-10-14/h6-10,13,15-17H,5,11-12H2,1-4H3
InChIKeyNCMHUFMZORCRSB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds8

About 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine

3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine (PubChem CID 116720474) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
PubChem CID116720474
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1)C(OC)C(C)C
InChIInChI=1S/C16H27NO/c1-5-11-17-15(16(18-4)13(2)3)12-14-9-7-6-8-10-14/h6-10,13,15-17H,5,11-12H2,1-4H3
InChIKeyNCMHUFMZORCRSB-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-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-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720568
1-(furan-2-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720645
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
4-benzyl-N-propylhexan-3-amine
CID 79307889
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 79493387
(4-methoxy-5-methyl-1-phenylhexan-3-yl)hydrazine
CID 105271973
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine?
The IUPAC name of 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine (CID 116720474) is 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine is CCCNC(Cc1ccccc1)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine?
The InChIKey is NCMHUFMZORCRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-11-17-15(16(18-4)13(2)3)12-14-9-7-6-8-10-14/h6-10,13,15-17H,5,11-12H2,1-4H3.
What are the key properties of 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine?
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 116720474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).