[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine

C17H21NO — CID 82120361

IUPAC[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H21NO/c1-12(2)19-16-8-6-15(7-9-16)17-10-14(11-18)5-4-13(17)3/h4-10,12H,11,18H2,1-3H3
InChIKeyRESLIMYVSYRXOF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.91
Rot. Bonds4

About [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine

[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine (PubChem CID 82120361) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
PubChem CID82120361
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H21NO/c1-12(2)19-16-8-6-15(7-9-16)17-10-14(11-18)5-4-13(17)3/h4-10,12H,11,18H2,1-3H3
InChIKeyRESLIMYVSYRXOF-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(aminomethyl)-2-methylphenyl]phenol
CID 82508624
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
CID 105409209
5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82366029
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine?
The IUPAC name of [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine (CID 82120361) is [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine?
The canonical SMILES for [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine is Cc1ccc(CN)cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine?
The InChIKey is RESLIMYVSYRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)19-16-8-6-15(7-9-16)17-10-14(11-18)5-4-13(17)3/h4-10,12H,11,18H2,1-3H3.
What are the key properties of [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine?
[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine is sourced from PubChem (CID 82120361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).