2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

C16H26ClN — CID 55194901

IUPAC2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-10-16(4,12-18-13(2)3)11-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyXNMGINJDJLUAJT-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 55194901) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID55194901
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-10-16(4,12-18-13(2)3)11-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyXNMGINJDJLUAJT-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103041060
2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 63509501
2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 114933559
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
2-methyl-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpentan-1-amine
CID 63507867
N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
1-chloro-4-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036089
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 55194901) is 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is XNMGINJDJLUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-10-16(4,12-18-13(2)3)11-14-6-8-15(17)9-7-14/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 55194901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).