4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine

C15H24ClNO2 — CID 83952634

IUPAC4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1c(Cl)cc(CCC(C)N)cc1OCC
InChIInChI=1S/C15H24ClNO2/c1-4-8-19-15-13(16)9-12(7-6-11(3)17)10-14(15)18-5-2/h9-11H,4-8,17H2,1-3H3
InChIKeyTWKLWCRYZAGLFY-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.81
Rot. Bonds8

About 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine

4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine (PubChem CID 83952634) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
PubChem CID83952634
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1c(Cl)cc(CCC(C)N)cc1OCC
InChIInChI=1S/C15H24ClNO2/c1-4-8-19-15-13(16)9-12(7-6-11(3)17)10-14(15)18-5-2/h9-11H,4-8,17H2,1-3H3
InChIKeyTWKLWCRYZAGLFY-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
(1S)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29226441
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
4-(3-methoxy-5-nitro-4-propoxyphenyl)butan-2-amine
CID 112720244
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122987
(3-chloro-5-ethoxy-4-propoxyphenyl)boronic acid
CID 74889354

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine?
The IUPAC name of 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine (CID 83952634) is 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine?
The canonical SMILES for 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine is CCCOc1c(Cl)cc(CCC(C)N)cc1OCC.
What is the InChIKey of 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine?
The InChIKey is TWKLWCRYZAGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-8-19-15-13(16)9-12(7-6-11(3)17)10-14(15)18-5-2/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine?
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 83952634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).