1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine

C13H20ClNO — CID 43561758

IUPAC1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ccc(OC)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-9(5-2)13(15)11-7-6-10(16-3)8-12(11)14/h6-9,13H,4-5,15H2,1-3H3
InChIKeyHLAUORJDRDJENT-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine

1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine (PubChem CID 43561758) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
PubChem CID43561758
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ccc(OC)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-9(5-2)13(15)11-7-6-10(16-3)8-12(11)14/h6-9,13H,4-5,15H2,1-3H3
InChIKeyHLAUORJDRDJENT-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
2-[amino-(2-chloro-4-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946359
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
3-amino-3-(2-chloro-4-methoxyphenyl)-2-(methylamino)propanoic acid
CID 116946910
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine (CID 43561758) is 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine is CCC(CC)C(N)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine?
The InChIKey is HLAUORJDRDJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-9(5-2)13(15)11-7-6-10(16-3)8-12(11)14/h6-9,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine?
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 43561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).