1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine

C13H20ClNO — CID 63561705

IUPAC1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12H,4,7,15H2,1-3H3
InChIKeyBUFIIZDGJVPKHE-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.26
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine

1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine (PubChem CID 63561705) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
PubChem CID63561705
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12H,4,7,15H2,1-3H3
InChIKeyBUFIIZDGJVPKHE-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
CID 116720793
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine (CID 63561705) is 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine is CCC(N)C(C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine?
The InChIKey is BUFIIZDGJVPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-12(15)9(2)7-10-8-11(14)5-6-13(10)16-3/h5-6,8-9,12H,4,7,15H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine?
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine has a molecular weight of 241.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 63561705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).