6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine

C19H26ClN — CID 79593269

IUPAC6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-2-14-21-15-8-4-3-5-9-16-12-13-19(20)18-11-7-6-10-17(16)18/h6-7,10-13,21H,2-5,8-9,14-15H2,1H3
InChIKeyBJQMJCXWOARAJL-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.60
Rot. Bonds9

About 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine

6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine (PubChem CID 79593269) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
PubChem CID79593269
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-2-14-21-15-8-4-3-5-9-16-12-13-19(20)18-11-7-6-10-17(16)18/h6-7,10-13,21H,2-5,8-9,14-15H2,1H3
InChIKeyBJQMJCXWOARAJL-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
CID 79597058
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
5-phenyl-N-propylpentan-1-amine
CID 62530615
1-hexyl-4-propylnaphthalene
CID 173269452
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
CID 79597128
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
CID 172751117

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine?
The IUPAC name of 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine (CID 79593269) is 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine?
The canonical SMILES for 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine is CCCNCCCCCCc1ccc(Cl)c2ccccc12.
What is the InChIKey of 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine?
The InChIKey is BJQMJCXWOARAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-2-14-21-15-8-4-3-5-9-16-12-13-19(20)18-11-7-6-10-17(16)18/h6-7,10-13,21H,2-5,8-9,14-15H2,1H3.
What are the key properties of 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine?
6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine has a molecular weight of 303.88 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 79593269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).