3-(3-chlorophenyl)-3-ethylpentan-1-amine

C13H20ClN — CID 83823434

IUPAC3-(3-chlorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)(CCN)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-3-13(4-2,8-9-15)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyIBQVFWQJCUKVNO-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.75
Rot. Bonds5

About 3-(3-chlorophenyl)-3-ethylpentan-1-amine

3-(3-chlorophenyl)-3-ethylpentan-1-amine (PubChem CID 83823434) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-ethylpentan-1-amine
PubChem CID83823434
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-(3-chlorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)(CCN)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-3-13(4-2,8-9-15)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyIBQVFWQJCUKVNO-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-2-(2-ethylbutyl)propane-1,3-diol
CID 82934889
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-ethylpentan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-3-ethylpentan-1-amine (CID 83823434) is 3-(3-chlorophenyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-ethylpentan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-3-ethylpentan-1-amine is CCC(CC)(CCN)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-ethylpentan-1-amine?
The InChIKey is IBQVFWQJCUKVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-3-13(4-2,8-9-15)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,15H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-3-ethylpentan-1-amine?
3-(3-chlorophenyl)-3-ethylpentan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 83823434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).