2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine

C16H26ClNO — CID 65180803

IUPAC2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
SMILESCCNCC(CCCOCC)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-3-18-13-15(6-5-11-19-4-2)12-14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3
InChIKeyIVKQZIIRQGOJMB-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.92
Rot. Bonds10

About 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine

2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine (PubChem CID 65180803) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
PubChem CID65180803
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
SMILESCCNCC(CCCOCC)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-3-18-13-15(6-5-11-19-4-2)12-14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3
InChIKeyIVKQZIIRQGOJMB-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.92
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-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-[(4-chlorophenyl)methyl]-N-ethyl-4-methylsulfonylbutan-1-amine
CID 62514170
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine (CID 65180803) is 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine is CCNCC(CCCOCC)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine?
The InChIKey is IVKQZIIRQGOJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-3-18-13-15(6-5-11-19-4-2)12-14-7-9-16(17)10-8-14/h7-10,15,18H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine?
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 65180803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).