2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol

C16H21NO2 — CID 22754998

IUPAC2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
SMILESCCNC(CO)CCOc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-2-17-14(12-18)10-11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,17-18H,2,10-12H2,1H3
InChIKeyQHDKNEOMVSCBGK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds7

About 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol

2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol (PubChem CID 22754998) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
PubChem CID22754998
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
SMILESCCNC(CO)CCOc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-2-17-14(12-18)10-11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,17-18H,2,10-12H2,1H3
InChIKeyQHDKNEOMVSCBGK-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol 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

4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
1-butoxynaphthalene
CID 13262700
1-(4-methylpentoxy)naphthalene
CID 83168126
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
CID 64805286
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
2-(ethylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64805310
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol (CID 22754998) is 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol is CCNC(CO)CCOc1cccc2ccccc12.
What is the InChIKey of 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol?
The InChIKey is QHDKNEOMVSCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-17-14(12-18)10-11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,17-18H,2,10-12H2,1H3.
What are the key properties of 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol?
2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol is sourced from PubChem (CID 22754998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).