1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine

C14H22ClN — CID 61066271

IUPAC1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C14H22ClN/c1-4-11(3)14(16-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyLYSKYODAKIZOPD-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine

1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 61066271) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID61066271
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C14H22ClN/c1-4-11(3)14(16-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyLYSKYODAKIZOPD-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64535614

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine (CID 61066271) is 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine is CCNC(Cc1ccc(Cl)cc1)C(C)CC.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is LYSKYODAKIZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(3)14(16-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 61066271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).