1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine

C18H29Cl2N — CID 63501748

IUPAC1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H29Cl2N/c1-6-9-21-17(10-13(2)12-18(3,4)5)15-8-7-14(19)11-16(15)20/h7-8,11,13,17,21H,6,9-10,12H2,1-5H3
InChIKeyPCCGZCVHTXDAQT-UHFFFAOYSA-N
MW330.34 g/mol
LogP6.50
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine

1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine (PubChem CID 63501748) has the molecular formula C18H29Cl2N and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
PubChem CID63501748
Molecular FormulaC18H29Cl2N
Molecular Weight330.34 g/mol
Exact Mass329.17
IUPAC Name1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H29Cl2N/c1-6-9-21-17(10-13(2)12-18(3,4)5)15-8-7-14(19)11-16(15)20/h7-8,11,13,17,21H,6,9-10,12H2,1-5H3
InChIKeyPCCGZCVHTXDAQT-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2-chloro-4,5-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 107476446
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43496847
1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63501913
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
1-(2-chloro-4,5-dimethylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 115484152
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine (CID 63501748) is 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The InChIKey is PCCGZCVHTXDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl2N/c1-6-9-21-17(10-13(2)12-18(3,4)5)15-8-7-14(19)11-16(15)20/h7-8,11,13,17,21H,6,9-10,12H2,1-5H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine?
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 63501748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).