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

C13H20ClNO — CID 64533188

IUPAC1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C13H20ClNO/c1-4-16-10(2)13(15-3)9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyLSMVNPZKDQPVIP-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.90
Rot. Bonds6

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

1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine (PubChem CID 64533188) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
PubChem CID64533188
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C13H20ClNO/c1-4-16-10(2)13(15-3)9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyLSMVNPZKDQPVIP-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
[3-(3-chlorophenyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279369
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine (CID 64533188) is 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine is CCOC(C)C(Cc1cccc(Cl)c1)NC.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine?
The InChIKey is LSMVNPZKDQPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-16-10(2)13(15-3)9-11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine?
1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine is sourced from PubChem (CID 64533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).