1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine

C17H28ClN — CID 105028424

IUPAC1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cccc(C)c1Cl
InChIInChI=1S/C17H28ClN/c1-5-11-19-16(12-14(6-2)7-3)15-10-8-9-13(4)17(15)18/h8-10,14,16,19H,5-7,11-12H2,1-4H3
InChIKeyKZKZYHFTCKDKGH-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.52
Rot. Bonds8

About 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine

1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 105028424) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID105028424
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cccc(C)c1Cl
InChIInChI=1S/C17H28ClN/c1-5-11-19-16(12-14(6-2)7-3)15-10-8-9-13(4)17(15)18/h8-10,14,16,19H,5-7,11-12H2,1-4H3
InChIKeyKZKZYHFTCKDKGH-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-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2-chloro-3-methylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820969
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine (CID 105028424) is 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is KZKZYHFTCKDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-11-19-16(12-14(6-2)7-3)15-10-8-9-13(4)17(15)18/h8-10,14,16,19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
1-(2-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-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 105028424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).