[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine

C18H23NO — CID 22688691

IUPAC[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C(C)C)c(OCc2ccc(CN)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13H,11-12,19H2,1-3H3
InChIKeyDYOGBIPJTJXERV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

About [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine

[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine (PubChem CID 22688691) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
PubChem CID22688691
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(C(C)C)c(OCc2ccc(CN)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13H,11-12,19H2,1-3H3
InChIKeyDYOGBIPJTJXERV-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
CID 115969368
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 81145541
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyridine-2-carbothioamide
CID 63882322
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine (CID 22688691) is [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine is Cc1ccc(C(C)C)c(OCc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The InChIKey is DYOGBIPJTJXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine?
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).