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

C18H23NO — CID 105350512

IUPAC2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
SMILESCC(C)c1ccc(OCc2ccc(CCN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)17-7-9-18(10-8-17)20-13-16-5-3-15(4-6-16)11-12-19/h3-10,14H,11-13,19H2,1-2H3
InChIKeyUQHHQIHNVWCEFK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

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

2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350512) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350512
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
SMILESCC(C)c1ccc(OCc2ccc(CCN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)17-7-9-18(10-8-17)20-13-16-5-3-15(4-6-16)11-12-19/h3-10,14H,11-13,19H2,1-2H3
InChIKeyUQHHQIHNVWCEFK-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine (CID 105350512) is 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine is CC(C)c1ccc(OCc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is UQHHQIHNVWCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)17-7-9-18(10-8-17)20-13-16-5-3-15(4-6-16)11-12-19/h3-10,14H,11-13,19H2,1-2H3.
What are the key properties of 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).