N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine

C14H22ClN — CID 71037021

IUPACN-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCN(CCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-14(2,3)9-10-16(4)11-12-5-7-13(15)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyLFUSAHKYQLUEEW-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.21
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine

N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine (PubChem CID 71037021) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
PubChem CID71037021
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCN(CCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-14(2,3)9-10-16(4)11-12-5-7-13(15)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyLFUSAHKYQLUEEW-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 61415050
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine (CID 71037021) is N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine is CN(CCC(C)(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is LFUSAHKYQLUEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-14(2,3)9-10-16(4)11-12-5-7-13(15)8-6-12/h5-8H,9-11H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine?
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 71037021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).