1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine

C17H20ClNO2 — CID 114862793

IUPAC1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Oc1cccc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-14(19)9-12-7-8-13(18)10-17(12)21-16-6-4-5-15(11-16)20-2/h4-8,10-11,14H,3,9,19H2,1-2H3
InChIKeySSGFEVSIMLHXPG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds6

About 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine

1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine (PubChem CID 114862793) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
PubChem CID114862793
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Oc1cccc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-14(19)9-12-7-8-13(18)10-17(12)21-16-6-4-5-15(11-16)20-2/h4-8,10-11,14H,3,9,19H2,1-2H3
InChIKeySSGFEVSIMLHXPG-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine (CID 114862793) is 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(Cl)cc1Oc1cccc(OC)c1.
What is the InChIKey of 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine?
The InChIKey is SSGFEVSIMLHXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-14(19)9-12-7-8-13(18)10-17(12)21-16-6-4-5-15(11-16)20-2/h4-8,10-11,14H,3,9,19H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine?
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).