1-(2-propoxyphenyl)nonan-1-amine

C18H31NO — CID 105035941

IUPAC1-(2-propoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1ccccc1OCCC
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-9-13-17(19)16-12-10-11-14-18(16)20-15-4-2/h10-12,14,17H,3-9,13,15,19H2,1-2H3
InChIKeyWCAOKELGNWEAPN-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.23
Rot. Bonds11

About 1-(2-propoxyphenyl)nonan-1-amine

1-(2-propoxyphenyl)nonan-1-amine (PubChem CID 105035941) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(2-propoxyphenyl)nonan-1-amine
PubChem CID105035941
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2-propoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1ccccc1OCCC
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-9-13-17(19)16-12-10-11-14-18(16)20-15-4-2/h10-12,14,17H,3-9,13,15,19H2,1-2H3
InChIKeyWCAOKELGNWEAPN-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-propoxyphenyl)nonan-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-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
1-(2-propoxyphenyl)octylhydrazine
CID 105334374
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
CID 43127460
1-octoxy-2-propan-2-ylbenzene
CID 64765685

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)nonan-1-amine?
The IUPAC name of 1-(2-propoxyphenyl)nonan-1-amine (CID 105035941) is 1-(2-propoxyphenyl)nonan-1-amine.
What is the SMILES notation for 1-(2-propoxyphenyl)nonan-1-amine?
The canonical SMILES for 1-(2-propoxyphenyl)nonan-1-amine is CCCCCCCCC(N)c1ccccc1OCCC.
What is the InChIKey of 1-(2-propoxyphenyl)nonan-1-amine?
The InChIKey is WCAOKELGNWEAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-6-7-8-9-13-17(19)16-12-10-11-14-18(16)20-15-4-2/h10-12,14,17H,3-9,13,15,19H2,1-2H3.
What are the key properties of 1-(2-propoxyphenyl)nonan-1-amine?
1-(2-propoxyphenyl)nonan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)nonan-1-amine is sourced from PubChem (CID 105035941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).