1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine

C17H28ClN — CID 105028203

IUPAC1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H28ClN/c1-5-10-19-17(12-14(6-2)7-3)15-8-9-16(18)13(4)11-15/h8-9,11,14,17,19H,5-7,10,12H2,1-4H3
InChIKeyDRMPAUFZXLMTIA-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.52
Rot. Bonds8

About 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine

1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 105028203) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID105028203
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H28ClN/c1-5-10-19-17(12-14(6-2)7-3)15-8-9-16(18)13(4)11-15/h8-9,11,14,17,19H,5-7,10,12H2,1-4H3
InChIKeyDRMPAUFZXLMTIA-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
[1-(3-chloro-4-methylphenyl)-3-ethylpentyl]hydrazine
CID 105331071
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine (CID 105028203) is 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is DRMPAUFZXLMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-10-19-17(12-14(6-2)7-3)15-8-9-16(18)13(4)11-15/h8-9,11,14,17,19H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.52, 8 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)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 105028203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).