(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine

C13H20ClN — CID 93063130

IUPAC(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)[C@@H](NC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-4-10(5-2)13(15-3)11-6-8-12(14)9-7-11/h6-10,13,15H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyQMGXLQIXKCWDIA-CYBMUJFWSA-N
MW225.76 g/mol
LogP4.04
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine

(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 93063130) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID93063130
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)[C@@H](NC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-4-10(5-2)13(15-3)11-6-8-12(14)9-7-11/h6-10,13,15H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyQMGXLQIXKCWDIA-CYBMUJFWSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 67126047
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013912
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 115854887
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine (CID 93063130) is (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)[C@@H](NC)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is QMGXLQIXKCWDIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-10(5-2)13(15-3)11-6-8-12(14)9-7-11/h6-10,13,15H,4-5H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine?
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 93063130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).