3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine

C17H29NO — CID 104659884

IUPAC3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccccc1OCCC
InChIInChI=1S/C17H29NO/c1-5-11-18-16(13-14(3)4)15-9-7-8-10-17(15)19-12-6-2/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyQVQNADWZKFQSKD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.56
Rot. Bonds9

About 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine

3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine (PubChem CID 104659884) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
PubChem CID104659884
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccccc1OCCC
InChIInChI=1S/C17H29NO/c1-5-11-18-16(13-14(3)4)15-9-7-8-10-17(15)19-12-6-2/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyQVQNADWZKFQSKD-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-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

3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
CID 120563941
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine (CID 104659884) is 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccccc1OCCC.
What is the InChIKey of 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine?
The InChIKey is QVQNADWZKFQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-11-18-16(13-14(3)4)15-9-7-8-10-17(15)19-12-6-2/h7-10,14,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine?
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 104659884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).