2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine

C17H28ClNO2 — CID 65178041

IUPAC2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
SMILESCCOCCCC(CNCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO2/c1-3-21-10-5-7-16(14-19-9-11-20-2)12-15-6-4-8-17(18)13-15/h4,6,8,13,16,19H,3,5,7,9-12,14H2,1-2H3
InChIKeyJJGWWTMCUBBEIL-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.55
Rot. Bonds12

About 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine

2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 65178041) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
PubChem CID65178041
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
SMILESCCOCCCC(CNCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO2/c1-3-21-10-5-7-16(14-19-9-11-20-2)12-15-6-4-8-17(18)13-15/h4,6,8,13,16,19H,3,5,7,9-12,14H2,1-2H3
InChIKeyJJGWWTMCUBBEIL-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 63504029
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine (CID 65178041) is 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine is CCOCCCC(CNCCOC)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is JJGWWTMCUBBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-3-21-10-5-7-16(14-19-9-11-20-2)12-15-6-4-8-17(18)13-15/h4,6,8,13,16,19H,3,5,7,9-12,14H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine?
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 313.87 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 65178041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).