1-(4-chlorophenoxy)-N-methylhexan-2-amine

C13H20ClNO — CID 105125626

IUPAC1-(4-chlorophenoxy)-N-methylhexan-2-amine
SMILESCCCCC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C13H20ClNO/c1-3-4-5-12(15-2)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyAAZJLEVSOPRIHX-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-chlorophenoxy)-N-methylhexan-2-amine

1-(4-chlorophenoxy)-N-methylhexan-2-amine (PubChem CID 105125626) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N-methylhexan-2-amine
PubChem CID105125626
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chlorophenoxy)-N-methylhexan-2-amine
SMILESCCCCC(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C13H20ClNO/c1-3-4-5-12(15-2)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyAAZJLEVSOPRIHX-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
CID 105182676
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
1-(4-chlorophenoxy)-N-ethyl-3-propoxypropan-2-amine
CID 105165293

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N-methylhexan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N-methylhexan-2-amine (CID 105125626) is 1-(4-chlorophenoxy)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N-methylhexan-2-amine is CCCCC(COc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-chlorophenoxy)-N-methylhexan-2-amine?
The InChIKey is AAZJLEVSOPRIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-4-5-12(15-2)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-N-methylhexan-2-amine?
1-(4-chlorophenoxy)-N-methylhexan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N-methylhexan-2-amine is sourced from PubChem (CID 105125626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).