1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine

C14H22ClN — CID 114978573

IUPAC1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(C)c1)C(C)C
InChIInChI=1S/C14H22ClN/c1-5-8-16-14(10(2)3)12-6-7-13(15)11(4)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyPRVDTAXPFUBDFF-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.35
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine

1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 114978573) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID114978573
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(C)c1)C(C)C
InChIInChI=1S/C14H22ClN/c1-5-8-16-14(10(2)3)12-6-7-13(15)11(4)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyPRVDTAXPFUBDFF-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
N-[1-(3,4-dimethylphenyl)-2,2-difluoroethyl]propan-1-amine
CID 80604825
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine (CID 114978573) is 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)c(C)c1)C(C)C.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is PRVDTAXPFUBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-8-16-14(10(2)3)12-6-7-13(15)11(4)9-12/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine?
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).