4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine

C12H18ClNO — CID 82473812

IUPAC4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
SMILESCOc1cc(C)c(Cl)cc1CCC(C)N
InChIInChI=1S/C12H18ClNO/c1-8-6-12(15-3)10(7-11(8)13)5-4-9(2)14/h6-7,9H,4-5,14H2,1-3H3
InChIKeyGPOKCRWRASPNJE-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.94
Rot. Bonds4

About 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine

4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine (PubChem CID 82473812) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
PubChem CID82473812
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
SMILESCOc1cc(C)c(Cl)cc1CCC(C)N
InChIInChI=1S/C12H18ClNO/c1-8-6-12(15-3)10(7-11(8)13)5-4-9(2)14/h6-7,9H,4-5,14H2,1-3H3
InChIKeyGPOKCRWRASPNJE-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
4-(5-chloro-2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 83937517
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
CID 82477650
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
CID 83953316
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
1-(6-bromohexyl)-5-chloro-2-methoxy-4-methylbenzene
CID 18921839

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine (CID 82473812) is 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine is COc1cc(C)c(Cl)cc1CCC(C)N.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine?
The InChIKey is GPOKCRWRASPNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-6-12(15-3)10(7-11(8)13)5-4-9(2)14/h6-7,9H,4-5,14H2,1-3H3.
What are the key properties of 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine?
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine is sourced from PubChem (CID 82473812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).