1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine

C13H20ClNO — CID 116720791

IUPAC1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-16-13(9(2)3)12(15)10-7-5-6-8-11(10)14/h5-9,12-13H,4,15H2,1-3H3
InChIKeyBEJVQSFGQSRLNE-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine

1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine (PubChem CID 116720791) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
PubChem CID116720791
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-16-13(9(2)3)12(15)10-7-5-6-8-11(10)14/h5-9,12-13H,4,15H2,1-3H3
InChIKeyBEJVQSFGQSRLNE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720833
[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
CID 105271941
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273639
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-2-ethylhexan-1-amine
CID 115800977
1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724924
1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
CID 15058794

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine (CID 116720791) is 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine is CCOC(C(C)C)C(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine?
The InChIKey is BEJVQSFGQSRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-16-13(9(2)3)12(15)10-7-5-6-8-11(10)14/h5-9,12-13H,4,15H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine?
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).