2-(1-naphthalen-2-ylethylamino)butan-1-ol

C16H21NO — CID 43207106

IUPAC2-(1-naphthalen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,16-18H,3,11H2,1-2H3
InChIKeyVDOXITOCGOMKJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-naphthalen-2-ylethylamino)butan-1-ol

2-(1-naphthalen-2-ylethylamino)butan-1-ol (PubChem CID 43207106) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylethylamino)butan-1-ol
PubChem CID43207106
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(1-naphthalen-2-ylethylamino)butan-1-ol
SMILESCCC(CO)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,16-18H,3,11H2,1-2H3
InChIKeyVDOXITOCGOMKJL-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylethylamino)butan-1-ol?
The IUPAC name of 2-(1-naphthalen-2-ylethylamino)butan-1-ol (CID 43207106) is 2-(1-naphthalen-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 2-(1-naphthalen-2-ylethylamino)butan-1-ol?
The canonical SMILES for 2-(1-naphthalen-2-ylethylamino)butan-1-ol is CCC(CO)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-naphthalen-2-ylethylamino)butan-1-ol?
The InChIKey is VDOXITOCGOMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-16(11-18)17-12(2)14-9-8-13-6-4-5-7-15(13)10-14/h4-10,12,16-18H,3,11H2,1-2H3.
What are the key properties of 2-(1-naphthalen-2-ylethylamino)butan-1-ol?
2-(1-naphthalen-2-ylethylamino)butan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 43207106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).