4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine

C15H20N2O — CID 57131383

IUPAC4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
SMILESCOc1ccc2c(CC(N)CCN)cccc2c1
InChIInChI=1S/C15H20N2O/c1-18-14-5-6-15-11(9-13(17)7-8-16)3-2-4-12(15)10-14/h2-6,10,13H,7-9,16-17H2,1H3
InChIKeySJNZYMDYYOIKQR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.07
Rot. Bonds5

About 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine

4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine (PubChem CID 57131383) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
PubChem CID57131383
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
SMILESCOc1ccc2c(CC(N)CCN)cccc2c1
InChIInChI=1S/C15H20N2O/c1-18-14-5-6-15-11(9-13(17)7-8-16)3-2-4-12(15)10-14/h2-6,10,13H,7-9,16-17H2,1H3
InChIKeySJNZYMDYYOIKQR-UHFFFAOYSA-N
XLogP2.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine 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-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
CID 115506237
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine?
The IUPAC name of 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine (CID 57131383) is 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine.
What is the SMILES notation for 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine?
The canonical SMILES for 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine is COc1ccc2c(CC(N)CCN)cccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine?
The InChIKey is SJNZYMDYYOIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-14-5-6-15-11(9-13(17)7-8-16)3-2-4-12(15)10-14/h2-6,10,13H,7-9,16-17H2,1H3.
What are the key properties of 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine?
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine is sourced from PubChem (CID 57131383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).