[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine

C16H18ClNO — CID 63456890

IUPAC[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2ccc(Cl)cc2CN)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)12-4-3-5-15(9-12)19-16-7-6-14(17)8-13(16)10-18/h3-9,11H,10,18H2,1-2H3
InChIKeyVYGFNPFOJHUCRG-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.71
Rot. Bonds4

About [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine

[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine (PubChem CID 63456890) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
PubChem CID63456890
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2ccc(Cl)cc2CN)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)12-4-3-5-15(9-12)19-16-7-6-14(17)8-13(16)10-18/h3-9,11H,10,18H2,1-2H3
InChIKeyVYGFNPFOJHUCRG-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[6-methyl-4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81251268
4-chloro-2-(3-propan-2-ylphenoxy)benzenecarbothioamide
CID 63520507
4-chloro-2-[(3-propan-2-ylphenoxy)methyl]aniline
CID 79583300
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 114863207
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine (CID 63456890) is [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine is CC(C)c1cccc(Oc2ccc(Cl)cc2CN)c1.
What is the InChIKey of [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is VYGFNPFOJHUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)12-4-3-5-15(9-12)19-16-7-6-14(17)8-13(16)10-18/h3-9,11H,10,18H2,1-2H3.
What are the key properties of [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine?
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63456890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).