4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride

C14H18ClNO — CID 139629187

IUPAC4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
SMILESCl.OCCCCNc1cccc2ccccc12
InChIInChI=1S/C14H17NO.ClH/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14;/h1-2,5-9,15-16H,3-4,10-11H2;1H
InChIKeyOCMLBHWEBBCYKD-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.45
Rot. Bonds5

About 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride

4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride (PubChem CID 139629187) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
PubChem CID139629187
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
SMILESCl.OCCCCNc1cccc2ccccc12
InChIInChI=1S/C14H17NO.ClH/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14;/h1-2,5-9,15-16H,3-4,10-11H2;1H
InChIKeyOCMLBHWEBBCYKD-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.45
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

N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride?
The IUPAC name of 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride (CID 139629187) is 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride.
What is the SMILES notation for 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride?
The canonical SMILES for 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride is Cl.OCCCCNc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride?
The InChIKey is OCMLBHWEBBCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14;/h1-2,5-9,15-16H,3-4,10-11H2;1H.
What are the key properties of 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride?
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride is sourced from PubChem (CID 139629187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).