4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol

C15H19NO2 — CID 115217433

IUPAC4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
SMILESCOc1ccc2cc(NCCCCO)ccc2c1
InChIInChI=1S/C15H19NO2/c1-18-15-7-5-12-10-14(6-4-13(12)11-15)16-8-2-3-9-17/h4-7,10-11,16-17H,2-3,8-9H2,1H3
InChIKeyPELSLOKTGFSJPK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.03
Rot. Bonds6

About 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol

4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol (PubChem CID 115217433) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
PubChem CID115217433
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
SMILESCOc1ccc2cc(NCCCCO)ccc2c1
InChIInChI=1S/C15H19NO2/c1-18-15-7-5-12-10-14(6-4-13(12)11-15)16-8-2-3-9-17/h4-7,10-11,16-17H,2-3,8-9H2,1H3
InChIKeyPELSLOKTGFSJPK-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
CID 115235467
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-hydroxy-N-(6-methoxynaphthalen-2-yl)butanamide
CID 115162836
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
CID 115217345
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
CID 115120355
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
N-(4-dimethoxysilylbutyl)-4-methoxyaniline
CID 173092192
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol (CID 115217433) is 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol is COc1ccc2cc(NCCCCO)ccc2c1.
What is the InChIKey of 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol?
The InChIKey is PELSLOKTGFSJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15-7-5-12-10-14(6-4-13(12)11-15)16-8-2-3-9-17/h4-7,10-11,16-17H,2-3,8-9H2,1H3.
What are the key properties of 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol?
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol is sourced from PubChem (CID 115217433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).