1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine

C17H28ClN — CID 55187933

IUPAC1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-5-11-19-16(9-10-17(2,3)4)13-14-7-6-8-15(18)12-14/h6-8,12,16,19H,5,9-11,13H2,1-4H3
InChIKeyCYCLGBCYRZUSLN-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.08
Rot. Bonds7

About 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine

1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine (PubChem CID 55187933) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
PubChem CID55187933
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-5-11-19-16(9-10-17(2,3)4)13-14-7-6-8-15(18)12-14/h6-8,12,16,19H,5,9-11,13H2,1-4H3
InChIKeyCYCLGBCYRZUSLN-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine (CID 55187933) is 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The InChIKey is CYCLGBCYRZUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-11-19-16(9-10-17(2,3)4)13-14-7-6-8-15(18)12-14/h6-8,12,16,19H,5,9-11,13H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine has a molecular weight of 281.87 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 55187933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).