1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine

C13H20ClNO — CID 106868787

IUPAC1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-13(16-3)12(15)8-10-6-5-9(2)7-11(10)14/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyVGXROMALOOPHII-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine

1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine (PubChem CID 106868787) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
PubChem CID106868787
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-13(16-3)12(15)8-10-6-5-9(2)7-11(10)14/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyVGXROMALOOPHII-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine (CID 106868787) is 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine?
The InChIKey is VGXROMALOOPHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-13(16-3)12(15)8-10-6-5-9(2)7-11(10)14/h5-7,12-13H,4,8,15H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine?
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 2.94, 5 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)-3-methoxypentan-2-amine is sourced from PubChem (CID 106868787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).