1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine

C17H20ClNO — CID 114862910

IUPAC1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-15(19)11-13-10-14(18)8-9-17(13)20-16-7-5-4-6-12(16)2/h4-10,15H,3,11,19H2,1-2H3
InChIKeyHGRKFMHJMAMHGC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.72
Rot. Bonds5

About 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine

1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine (PubChem CID 114862910) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
PubChem CID114862910
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-15(19)11-13-10-14(18)8-9-17(13)20-16-7-5-4-6-12(16)2/h4-10,15H,3,11,19H2,1-2H3
InChIKeyHGRKFMHJMAMHGC-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
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-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine (CID 114862910) is 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1Oc1ccccc1C.
What is the InChIKey of 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is HGRKFMHJMAMHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-15(19)11-13-10-14(18)8-9-17(13)20-16-7-5-4-6-12(16)2/h4-10,15H,3,11,19H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine?
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114862910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).