3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine

C13H20ClN — CID 82080937

IUPAC3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)C(CCN)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-13(2,3)11(8-9-15)10-6-4-5-7-12(10)14/h4-7,11H,8-9,15H2,1-3H3
InChIKeyRUMHLNSHHJHYNV-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.82
Rot. Bonds3

About 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine

3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine (PubChem CID 82080937) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
PubChem CID82080937
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)C(CCN)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-13(2,3)11(8-9-15)10-6-4-5-7-12(10)14/h4-7,11H,8-9,15H2,1-3H3
InChIKeyRUMHLNSHHJHYNV-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-4-fluorobutan-1-amine
CID 115022437
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
4-amino-2-(2-chlorophenyl)butanal
CID 134207919
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258
[(3S)-3-(2-chlorophenyl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 174774353
(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide
CID 140628565
(1R,3S)-3-amino-1-(2-chlorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171236839
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine (CID 82080937) is 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine is CC(C)(C)C(CCN)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is RUMHLNSHHJHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-13(2,3)11(8-9-15)10-6-4-5-7-12(10)14/h4-7,11H,8-9,15H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine?
3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 82080937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).