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

C16H19NO — CID 63943480

IUPAC[3-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NO/c1-12(2)14-6-4-8-16(10-14)18-15-7-3-5-13(9-15)11-17/h3-10,12H,11,17H2,1-2H3
InChIKeyKSVOJZSICWFCKT-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.06
Rot. Bonds4

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

[3-(3-propan-2-ylphenoxy)phenyl]methanamine (PubChem CID 63943480) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-(3-propan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-propan-2-ylphenoxy)phenyl]methanamine
PubChem CID63943480
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[3-(3-propan-2-ylphenoxy)phenyl]methanamine
SMILESCC(C)c1cccc(Oc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NO/c1-12(2)14-6-4-8-16(10-14)18-15-7-3-5-13(9-15)11-17/h3-10,12H,11,17H2,1-2H3
InChIKeyKSVOJZSICWFCKT-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 102814464
(3-propan-2-ylphenyl)methanamine
CID 21085835
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
CID 113469499
CID 91869714
CID 91869714
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345

Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of [3-(3-propan-2-ylphenoxy)phenyl]methanamine (CID 63943480) is [3-(3-propan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-propan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-propan-2-ylphenoxy)phenyl]methanamine is CC(C)c1cccc(Oc2cccc(CN)c2)c1.
What is the InChIKey of [3-(3-propan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is KSVOJZSICWFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)14-6-4-8-16(10-14)18-15-7-3-5-13(9-15)11-17/h3-10,12H,11,17H2,1-2H3.
What are the key properties of [3-(3-propan-2-ylphenoxy)phenyl]methanamine?
[3-(3-propan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63943480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).