[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine

C19H25NO — CID 115951807

IUPAC[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-16(12-20)18(14)21-13-15-8-10-17(11-9-15)19(2,3)4/h5-11H,12-13,20H2,1-4H3
InChIKeyRPGWAZIHSDLFEY-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.33
Rot. Bonds4

About [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine

[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 115951807) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID115951807
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-16(12-20)18(14)21-13-15-8-10-17(11-9-15)19(2,3)4/h5-11H,12-13,20H2,1-4H3
InChIKeyRPGWAZIHSDLFEY-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
CID 115951857
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
CID 63533381
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
(2-decoxy-3-methylphenyl)methanamine
CID 115951875

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine (CID 115951807) is [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine is Cc1cccc(CN)c1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is RPGWAZIHSDLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-5-7-16(12-20)18(14)21-13-15-8-10-17(11-9-15)19(2,3)4/h5-11H,12-13,20H2,1-4H3.
What are the key properties of [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine?
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 283.41 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 [2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 115951807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).