2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine

C13H20ClNO — CID 65125736

IUPAC2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-13(2,10-15-3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyAGXSWZADHCLMIK-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine

2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine (PubChem CID 65125736) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine
PubChem CID65125736
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-13(2,10-15-3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyAGXSWZADHCLMIK-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844
1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112589696
2-[(4-fluorophenyl)methoxy]-2-methylbutan-1-amine
CID 65053286
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
CID 154165073
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 62353436
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine (CID 65125736) is 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine is CCC(C)(CNC)OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine?
The InChIKey is AGXSWZADHCLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-13(2,10-15-3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine?
2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 65125736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).