5-(3-chloropropylamino)naphthalen-1-ol

C13H14ClNO — CID 70579278

IUPAC5-(3-chloropropylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCCCCl)cccc12
InChIInChI=1S/C13H14ClNO/c14-8-3-9-15-12-6-1-5-11-10(12)4-2-7-13(11)16/h1-2,4-7,15-16H,3,8-9H2
InChIKeyVFQRQYGWUOTSEL-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.59
Rot. Bonds4

About 5-(3-chloropropylamino)naphthalen-1-ol

5-(3-chloropropylamino)naphthalen-1-ol (PubChem CID 70579278) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-(3-chloropropylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(3-chloropropylamino)naphthalen-1-ol
PubChem CID70579278
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name5-(3-chloropropylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCCCCl)cccc12
InChIInChI=1S/C13H14ClNO/c14-8-3-9-15-12-6-1-5-11-10(12)4-2-7-13(11)16/h1-2,4-7,15-16H,3,8-9H2
InChIKeyVFQRQYGWUOTSEL-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(dodecylamino)naphthalen-1-ol
CID 11438841
2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
CID 70579258
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol
CID 114841970
N-[3-[(5-ethylnaphthalen-1-yl)amino]propyl]hydroxylamine
CID 176934935
5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol
CID 62327867
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
5-[6-(2-phenylethylamino)hexylamino]naphthalene-1,2-diol
CID 70042098

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylamino)naphthalen-1-ol?
The IUPAC name of 5-(3-chloropropylamino)naphthalen-1-ol (CID 70579278) is 5-(3-chloropropylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(3-chloropropylamino)naphthalen-1-ol?
The canonical SMILES for 5-(3-chloropropylamino)naphthalen-1-ol is Oc1cccc2c(NCCCCl)cccc12.
What is the InChIKey of 5-(3-chloropropylamino)naphthalen-1-ol?
The InChIKey is VFQRQYGWUOTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-8-3-9-15-12-6-1-5-11-10(12)4-2-7-13(11)16/h1-2,4-7,15-16H,3,8-9H2.
What are the key properties of 5-(3-chloropropylamino)naphthalen-1-ol?
5-(3-chloropropylamino)naphthalen-1-ol has a molecular weight of 235.71 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylamino)naphthalen-1-ol is sourced from PubChem (CID 70579278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).