1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine

C13H20ClNO — CID 116760606

IUPAC1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-13(5-2,16-3)12(15)10-8-6-7-9-11(10)14/h6-9,12H,4-5,15H2,1-3H3
InChIKeyLNYBLHYNONGZJA-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine

1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine (PubChem CID 116760606) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
PubChem CID116760606
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-13(5-2,16-3)12(15)10-8-6-7-9-11(10)14/h6-9,12H,4-5,15H2,1-3H3
InChIKeyLNYBLHYNONGZJA-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
CID 141274241
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine (CID 116760606) is 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine is CCC(CC)(OC)C(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine?
The InChIKey is LNYBLHYNONGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-13(5-2,16-3)12(15)10-8-6-7-9-11(10)14/h6-9,12H,4-5,15H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine?
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.55, 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-ethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 116760606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).