2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine

C17H28ClNO — CID 63509806

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H28ClNO/c1-5-7-10-17(6-2,13-19-3)12-14-11-15(18)8-9-16(14)20-4/h8-9,11,19H,5-7,10,12-13H2,1-4H3
InChIKeyWUXLKJNDEUYRCV-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.70
Rot. Bonds9

About 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine

2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine (PubChem CID 63509806) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
PubChem CID63509806
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H28ClNO/c1-5-7-10-17(6-2,13-19-3)12-14-11-15(18)8-9-16(14)20-4/h8-9,11,19H,5-7,10,12-13H2,1-4H3
InChIKeyWUXLKJNDEUYRCV-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine (CID 63509806) is 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CNC)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The InChIKey is WUXLKJNDEUYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-7-10-17(6-2,13-19-3)12-14-11-15(18)8-9-16(14)20-4/h8-9,11,19H,5-7,10,12-13H2,1-4H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 63509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).