4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol

C16H21NO2 — CID 131860247

IUPAC4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol
SMILESCOc1ccc2cc(CC(N)CCCO)ccc2c1
InChIInChI=1S/C16H21NO2/c1-19-16-7-6-13-9-12(4-5-14(13)11-16)10-15(17)3-2-8-18/h4-7,9,11,15,18H,2-3,8,10,17H2,1H3
InChIKeyRQUMLJADOIIBLO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol

4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol (PubChem CID 131860247) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol
PubChem CID131860247
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol
SMILESCOc1ccc2cc(CC(N)CCCO)ccc2c1
InChIInChI=1S/C16H21NO2/c1-19-16-7-6-13-9-12(4-5-14(13)11-16)10-15(17)3-2-8-18/h4-7,9,11,15,18H,2-3,8,10,17H2,1H3
InChIKeyRQUMLJADOIIBLO-UHFFFAOYSA-N
XLogP2.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol?
The IUPAC name of 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol (CID 131860247) is 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol.
What is the SMILES notation for 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol?
The canonical SMILES for 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol is COc1ccc2cc(CC(N)CCCO)ccc2c1.
What is the InChIKey of 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol?
The InChIKey is RQUMLJADOIIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-16-7-6-13-9-12(4-5-14(13)11-16)10-15(17)3-2-8-18/h4-7,9,11,15,18H,2-3,8,10,17H2,1H3.
What are the key properties of 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol?
4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(6-methoxynaphthalen-2-yl)pentan-1-ol is sourced from PubChem (CID 131860247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).