1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine

C17H29NO — CID 62160648

IUPAC1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc(C)ccc1OC
InChIInChI=1S/C17H29NO/c1-5-7-16(18-12-6-2)10-9-15-13-14(3)8-11-17(15)19-4/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3
InChIKeySFPGHRMROGLQJW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds9

About 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine

1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine (PubChem CID 62160648) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
PubChem CID62160648
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc(C)ccc1OC
InChIInChI=1S/C17H29NO/c1-5-7-16(18-12-6-2)10-9-15-13-14(3)8-11-17(15)19-4/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3
InChIKeySFPGHRMROGLQJW-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-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-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
CID 63399896
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea
CID 42952673
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine (CID 62160648) is 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine?
The InChIKey is SFPGHRMROGLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-16(18-12-6-2)10-9-15-13-14(3)8-11-17(15)19-4/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine?
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 62160648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).