N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine

C18H30ClN — CID 139644714

IUPACN,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
SMILESCCCCN(CCCC)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-5-7-13-20(14-8-6-2)18(3,4)15-16-9-11-17(19)12-10-16/h9-12H,5-8,13-15H2,1-4H3
InChIKeyNJNSHGWUTYIRJZ-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.56
Rot. Bonds9

About N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine

N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine (PubChem CID 139644714) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
PubChem CID139644714
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC NameN,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
SMILESCCCCN(CCCC)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN/c1-5-7-13-20(14-8-6-2)18(3,4)15-16-9-11-17(19)12-10-16/h9-12H,5-8,13-15H2,1-4H3
InChIKeyNJNSHGWUTYIRJZ-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
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CID 151532022
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol
CID 110174748
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
CID 84752651
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-chloro-4-(2-methyl-2-prop-1-en-2-yldecyl)benzene
CID 101152697
1-chloro-4-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036089
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
N-butyl-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 87694469
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline
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(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The IUPAC name of N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine (CID 139644714) is N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine is CCCCN(CCCC)C(C)(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
The InChIKey is NJNSHGWUTYIRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-5-7-13-20(14-8-6-2)18(3,4)15-16-9-11-17(19)12-10-16/h9-12H,5-8,13-15H2,1-4H3.
What are the key properties of N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine?
N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine has a molecular weight of 295.90 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 139644714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).