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

C18H23NO — CID 169301996

IUPAC[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(C(C)C)ccc1OCc1ccc(CN)cc1
InChIInChI=1S/C18H23NO/c1-13(2)17-8-9-18(14(3)10-17)20-12-16-6-4-15(11-19)5-7-16/h4-10,13H,11-12,19H2,1-3H3
InChIKeyIVXBAQDNWIQTCG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.16
Rot. Bonds5

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

[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine (PubChem CID 169301996) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
PubChem CID169301996
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(C(C)C)ccc1OCc1ccc(CN)cc1
InChIInChI=1S/C18H23NO/c1-13(2)17-8-9-18(14(3)10-17)20-12-16-6-4-15(11-19)5-7-16/h4-10,13H,11-12,19H2,1-3H3
InChIKeyIVXBAQDNWIQTCG-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

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Related Compounds

[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
5-bromo-2-[(4-propan-2-ylphenyl)methoxy]aniline
CID 65430532
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
4,4,5,5-tetramethyl-2-[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-1,3,2-dioxaborolane
CID 123913213
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine (CID 169301996) is [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine is Cc1cc(C(C)C)ccc1OCc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The InChIKey is IVXBAQDNWIQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)17-8-9-18(14(3)10-17)20-12-16-6-4-15(11-19)5-7-16/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of [4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine?
[4-[(2-methyl-4-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-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 169301996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).