3-(2-butoxynaphthalen-1-yl)propan-1-amine

C17H23NO — CID 170867884

IUPAC3-(2-butoxynaphthalen-1-yl)propan-1-amine
SMILESCCCCOc1ccc2ccccc2c1CCCN
InChIInChI=1S/C17H23NO/c1-2-3-13-19-17-11-10-14-7-4-5-8-15(14)16(17)9-6-12-18/h4-5,7-8,10-11H,2-3,6,9,12-13,18H2,1H3
InChIKeyOEOPGPSPFRCZNA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.91
Rot. Bonds7

About 3-(2-butoxynaphthalen-1-yl)propan-1-amine

3-(2-butoxynaphthalen-1-yl)propan-1-amine (PubChem CID 170867884) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-butoxynaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-butoxynaphthalen-1-yl)propan-1-amine
PubChem CID170867884
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(2-butoxynaphthalen-1-yl)propan-1-amine
SMILESCCCCOc1ccc2ccccc2c1CCCN
InChIInChI=1S/C17H23NO/c1-2-3-13-19-17-11-10-14-7-4-5-8-15(14)16(17)9-6-12-18/h4-5,7-8,10-11H,2-3,6,9,12-13,18H2,1H3
InChIKeyOEOPGPSPFRCZNA-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-butoxynaphthalen-1-yl)propan-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

2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
2-(2-butoxynaphthalen-1-yl)acetate
CID 7037013
1-(7-butoxyoctyl)-2-decoxynaphthalene
CID 19933711
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1-ethyl-2-propoxynaphthalene
CID 129259410
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807924
1,4-dibutoxynaphthalene
CID 22016411
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxynaphthalen-1-yl)propan-1-amine?
The IUPAC name of 3-(2-butoxynaphthalen-1-yl)propan-1-amine (CID 170867884) is 3-(2-butoxynaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-butoxynaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-butoxynaphthalen-1-yl)propan-1-amine is CCCCOc1ccc2ccccc2c1CCCN.
What is the InChIKey of 3-(2-butoxynaphthalen-1-yl)propan-1-amine?
The InChIKey is OEOPGPSPFRCZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-3-13-19-17-11-10-14-7-4-5-8-15(14)16(17)9-6-12-18/h4-5,7-8,10-11H,2-3,6,9,12-13,18H2,1H3.
What are the key properties of 3-(2-butoxynaphthalen-1-yl)propan-1-amine?
3-(2-butoxynaphthalen-1-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxynaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 170867884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).