2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine

C12H18ClNO — CID 79441568

IUPAC2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNCC(CCOC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-9-11(7-8-15-2)10-3-5-12(13)6-4-10/h3-6,11,14H,7-9H2,1-2H3
InChIKeyFKSALSSJMDCPIL-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine

2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 79441568) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
PubChem CID79441568
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNCC(CCOC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-14-9-11(7-8-15-2)10-3-5-12(13)6-4-10/h3-6,11,14H,7-9H2,1-2H3
InChIKeyFKSALSSJMDCPIL-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
CID 103183680
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine (CID 79441568) is 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine is CNCC(CCOC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is FKSALSSJMDCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-14-9-11(7-8-15-2)10-3-5-12(13)6-4-10/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine?
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 79441568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).