2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine

C15H24ClNO — CID 114012916

IUPAC2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-6-11(2)14(10-17-3)13-9-12(16)7-8-15(13)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyRFPVGERXZNRLJU-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.09
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine

2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine (PubChem CID 114012916) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
PubChem CID114012916
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)C(CNC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-5-6-11(2)14(10-17-3)13-9-12(16)7-8-15(13)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyRFPVGERXZNRLJU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
2-(5-chloro-2-methoxyphenyl)-3-methylhexanenitrile
CID 107886167
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
CID 104545774
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine (CID 114012916) is 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine is CCCC(C)C(CNC)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is RFPVGERXZNRLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-6-11(2)14(10-17-3)13-9-12(16)7-8-15(13)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.09, 7 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)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 114012916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).