1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine

C16H18ClNO — CID 114862908

IUPAC1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2cc(Cl)ccc2CC(C)N)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-15(8-11)19-16-10-14(17)7-6-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3
InChIKeyLACYZKKOBCWXNT-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine

1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine (PubChem CID 114862908) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
PubChem CID114862908
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cccc(Oc2cc(Cl)ccc2CC(C)N)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-15(8-11)19-16-10-14(17)7-6-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3
InChIKeyLACYZKKOBCWXNT-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
CID 64855867
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine (CID 114862908) is 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine is Cc1cccc(Oc2cc(Cl)ccc2CC(C)N)c1.
What is the InChIKey of 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is LACYZKKOBCWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-3-5-15(8-11)19-16-10-14(17)7-6-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine?
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114862908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).