1-(3-chlorophenoxy)-5-methylhexan-2-amine

C13H20ClNO — CID 105126678

IUPAC1-(3-chlorophenoxy)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)COc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(2)6-7-12(15)9-16-13-5-3-4-11(14)8-13/h3-5,8,10,12H,6-7,9,15H2,1-2H3
InChIKeyOCBMUQQZZYVCSB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.48
Rot. Bonds6

About 1-(3-chlorophenoxy)-5-methylhexan-2-amine

1-(3-chlorophenoxy)-5-methylhexan-2-amine (PubChem CID 105126678) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-5-methylhexan-2-amine
PubChem CID105126678
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chlorophenoxy)-5-methylhexan-2-amine
SMILESCC(C)CCC(N)COc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(2)6-7-12(15)9-16-13-5-3-4-11(14)8-13/h3-5,8,10,12H,6-7,9,15H2,1-2H3
InChIKeyOCBMUQQZZYVCSB-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
CID 143267856

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-5-methylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-5-methylhexan-2-amine (CID 105126678) is 1-(3-chlorophenoxy)-5-methylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-5-methylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-5-methylhexan-2-amine is CC(C)CCC(N)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-5-methylhexan-2-amine?
The InChIKey is OCBMUQQZZYVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)6-7-12(15)9-16-13-5-3-4-11(14)8-13/h3-5,8,10,12H,6-7,9,15H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-5-methylhexan-2-amine?
1-(3-chlorophenoxy)-5-methylhexan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-5-methylhexan-2-amine is sourced from PubChem (CID 105126678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).