2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

C16H26ClN — CID 55195094

IUPAC2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-4-6-11-16(5-2,13-18-3)12-14-9-7-8-10-15(14)17/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyXIKKROBTAJSLNP-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (PubChem CID 55195094) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
PubChem CID55195094
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-4-6-11-16(5-2,13-18-3)12-14-9-7-8-10-15(14)17/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyXIKKROBTAJSLNP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (CID 55195094) is 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CNC)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The InChIKey is XIKKROBTAJSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-6-11-16(5-2,13-18-3)12-14-9-7-8-10-15(14)17/h7-10,18H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 55195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).