1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine

C17H28ClN — CID 105028577

IUPAC1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C17H28ClN/c1-5-11-19-17(8-6-7-13(2)3)16-12-15(18)10-9-14(16)4/h9-10,12-13,17,19H,5-8,11H2,1-4H3
InChIKeyNNRWGTFOZSXOGR-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.52
Rot. Bonds8

About 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine

1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105028577) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID105028577
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C17H28ClN/c1-5-11-19-17(8-6-7-13(2)3)16-12-15(18)10-9-14(16)4/h9-10,12-13,17,19H,5-8,11H2,1-4H3
InChIKeyNNRWGTFOZSXOGR-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-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(5-chloro-2-methylphenyl)-N-propylbut-3-yn-1-amine
CID 114977026
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine (CID 105028577) is 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is NNRWGTFOZSXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-11-19-17(8-6-7-13(2)3)16-12-15(18)10-9-14(16)4/h9-10,12-13,17,19H,5-8,11H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine?
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-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-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105028577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).