5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine

C18H24ClNO — CID 79593271

IUPAC5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO/c1-21-14-13-20-12-6-2-3-7-15-10-11-18(19)17-9-5-4-8-16(15)17/h4-5,8-11,20H,2-3,6-7,12-14H2,1H3
InChIKeyYWGPSZOOYAHLRN-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.44
Rot. Bonds9

About 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine

5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 79593271) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
PubChem CID79593271
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO/c1-21-14-13-20-12-6-2-3-7-15-10-11-18(19)17-9-5-4-8-16(15)17/h4-5,8-11,20H,2-3,6-7,12-14H2,1H3
InChIKeyYWGPSZOOYAHLRN-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
CID 79597058
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
CID 79597128
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65305744
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine (CID 79593271) is 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine is COCCNCCCCCc1ccc(Cl)c2ccccc12.
What is the InChIKey of 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is YWGPSZOOYAHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-21-14-13-20-12-6-2-3-7-15-10-11-18(19)17-9-5-4-8-16(15)17/h4-5,8-11,20H,2-3,6-7,12-14H2,1H3.
What are the key properties of 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine?
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 79593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).