4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol

C17H23NO — CID 115217835

IUPAC4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCc1ccc2cc(CCNCCCCO)ccc2c1
InChIInChI=1S/C17H23NO/c1-14-4-6-17-13-15(5-7-16(17)12-14)8-10-18-9-2-3-11-19/h4-7,12-13,18-19H,2-3,8-11H2,1H3
InChIKeyGFKBIDJKGARINI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.05
Rot. Bonds7

About 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol

4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol (PubChem CID 115217835) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
PubChem CID115217835
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCc1ccc2cc(CCNCCCCO)ccc2c1
InChIInChI=1S/C17H23NO/c1-14-4-6-17-13-15(5-7-16(17)12-14)8-10-18-9-2-3-11-19/h4-7,12-13,18-19H,2-3,8-11H2,1H3
InChIKeyGFKBIDJKGARINI-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 115195493
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
CID 62315190
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
CID 115121687
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol
CID 156706690
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol (CID 115217835) is 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol is Cc1ccc2cc(CCNCCCCO)ccc2c1.
What is the InChIKey of 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol?
The InChIKey is GFKBIDJKGARINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-4-6-17-13-15(5-7-16(17)12-14)8-10-18-9-2-3-11-19/h4-7,12-13,18-19H,2-3,8-11H2,1H3.
What are the key properties of 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol?
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).