1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine

C15H24ClNO — CID 106865944

IUPAC1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-11-5-7-13(15(16)9-11)10-14(17-3)8-6-12(2)18-4/h5,7,9,12,14,17H,6,8,10H2,1-4H3
InChIKeyIVHXBMVMOONPHC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.59
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine

1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine (PubChem CID 106865944) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
PubChem CID106865944
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-11-5-7-13(15(16)9-11)10-14(17-3)8-6-12(2)18-4/h5,7,9,12,14,17H,6,8,10H2,1-4H3
InChIKeyIVHXBMVMOONPHC-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105295227
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006
[1-(2-chlorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105286578
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine (CID 106865944) is 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine is CNC(CCC(C)OC)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine?
The InChIKey is IVHXBMVMOONPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11-5-7-13(15(16)9-11)10-14(17-3)8-6-12(2)18-4/h5,7,9,12,14,17H,6,8,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine?
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 106865944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).