2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine

C15H24ClNO — CID 62514731

IUPAC2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
SMILESCCNCC(CCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-3-17-12-14(7-5-9-18-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyJLXDEQJPSJRYOW-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.53
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine

2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine (PubChem CID 62514731) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
PubChem CID62514731
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
SMILESCCNCC(CCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-3-17-12-14(7-5-9-18-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyJLXDEQJPSJRYOW-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.53
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

2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine (CID 62514731) is 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine is CCNCC(CCCOC)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine?
The InChIKey is JLXDEQJPSJRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-17-12-14(7-5-9-18-2)10-13-6-4-8-15(16)11-13/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine?
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine is sourced from PubChem (CID 62514731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).