4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine

C16H21NO2 — CID 117402236

IUPAC4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
SMILESCOc1ccc2ccc(OC)c(CCCCN)c2c1
InChIInChI=1S/C16H21NO2/c1-18-13-8-6-12-7-9-16(19-2)14(15(12)11-13)5-3-4-10-17/h6-9,11H,3-5,10,17H2,1-2H3
InChIKeyVGHFKFAIVFBMEO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.14
Rot. Bonds6

About 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine

4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine (PubChem CID 117402236) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
PubChem CID117402236
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
SMILESCOc1ccc2ccc(OC)c(CCCCN)c2c1
InChIInChI=1S/C16H21NO2/c1-18-13-8-6-12-7-9-16(19-2)14(15(12)11-13)5-3-4-10-17/h6-9,11H,3-5,10,17H2,1-2H3
InChIKeyVGHFKFAIVFBMEO-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005
4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
CID 82577735
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
4-[7-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine?
The IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine (CID 117402236) is 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine is COc1ccc2ccc(OC)c(CCCCN)c2c1.
What is the InChIKey of 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine?
The InChIKey is VGHFKFAIVFBMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-18-13-8-6-12-7-9-16(19-2)14(15(12)11-13)5-3-4-10-17/h6-9,11H,3-5,10,17H2,1-2H3.
What are the key properties of 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine?
4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 117402236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).