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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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).