1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine

C16H26ClNO — CID 105086143

IUPAC1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-3-10-18-16(9-6-11-19-4-2)13-14-7-5-8-15(17)12-14/h5,7-8,12,16,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyHOWMAJXWNWJLKV-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.07
Rot. Bonds10

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

1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine (PubChem CID 105086143) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
PubChem CID105086143
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-3-10-18-16(9-6-11-19-4-2)13-14-7-5-8-15(17)12-14/h5,7-8,12,16,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyHOWMAJXWNWJLKV-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
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

[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine (CID 105086143) is 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine is CCCNC(CCCOCC)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine?
The InChIKey is HOWMAJXWNWJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-3-10-18-16(9-6-11-19-4-2)13-14-7-5-8-15(17)12-14/h5,7-8,12,16,18H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine?
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine is sourced from PubChem (CID 105086143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).