[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine

C17H21NO — CID 28967110

IUPAC[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-10-16(12-18)11-14(2)17(13)19-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyJVDPVURSIDGBLH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds5

About [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine

[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine (PubChem CID 28967110) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
PubChem CID28967110
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-10-16(12-18)11-14(2)17(13)19-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyJVDPVURSIDGBLH-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 43276733
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471375
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
2-phenylethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 4945265
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine
CID 106721606

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine (CID 28967110) is [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine is Cc1cc(CN)cc(C)c1OCCc1ccccc1.
What is the InChIKey of [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine?
The InChIKey is JVDPVURSIDGBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-10-16(12-18)11-14(2)17(13)19-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12,18H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine?
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine is sourced from PubChem (CID 28967110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).