2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine

C17H28ClNO — CID 79443619

IUPAC2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-4-20-10-6-8-16(13-19-12-14(2)3)15-7-5-9-17(18)11-15/h5,7,9,11,14,16,19H,4,6,8,10,12-13H2,1-3H3
InChIKeyGQXOZSBKUHDYEG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.49
Rot. Bonds10

About 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine

2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine (PubChem CID 79443619) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
PubChem CID79443619
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-4-20-10-6-8-16(13-19-12-14(2)3)15-7-5-9-17(18)11-15/h5,7,9,11,14,16,19H,4,6,8,10,12-13H2,1-3H3
InChIKeyGQXOZSBKUHDYEG-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.49
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)-N-(2-methylpropyl)nonan-1-amine
CID 79433186
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
1-(1-bromo-5-ethoxypentan-2-yl)-3-chlorobenzene
CID 79430327
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine (CID 79443619) is 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine is CCOCCCC(CNCC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is GQXOZSBKUHDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-4-20-10-6-8-16(13-19-12-14(2)3)15-7-5-9-17(18)11-15/h5,7,9,11,14,16,19H,4,6,8,10,12-13H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine?
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 79443619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).