4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine

C16H20ClN — CID 79597058

IUPAC4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClN/c1-2-18-12-6-5-7-13-10-11-16(17)15-9-4-3-8-14(13)15/h3-4,8-11,18H,2,5-7,12H2,1H3
InChIKeyDVSCVSOAWGNICP-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.43
Rot. Bonds6

About 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine

4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine (PubChem CID 79597058) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
PubChem CID79597058
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClN/c1-2-18-12-6-5-7-13-10-11-16(17)15-9-4-3-8-14(13)15/h3-4,8-11,18H,2,5-7,12H2,1H3
InChIKeyDVSCVSOAWGNICP-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.43
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

6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
CID 79593269
N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
CID 79597128
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
1-hexyl-4-propylnaphthalene
CID 173269452
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
CID 172751117
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210
5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
CID 65305563

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine (CID 79597058) is 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine is CCNCCCCc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine?
The InChIKey is DVSCVSOAWGNICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-2-18-12-6-5-7-13-10-11-16(17)15-9-4-3-8-14(13)15/h3-4,8-11,18H,2,5-7,12H2,1H3.
What are the key properties of 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine?
4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine has a molecular weight of 261.80 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 79597058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).