(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine

C18H23NO — CID 28973753

IUPAC(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
SMILESCC(C)c1ccc(COc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-6-4-15(5-7-16)12-20-18-10-8-17(9-11-18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m0/s1
InChIKeyKLEPZFINKPNANB-AWEZNQCLSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds5

About (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine (PubChem CID 28973753) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
PubChem CID28973753
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
SMILESCC(C)c1ccc(COc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-6-4-15(5-7-16)12-20-18-10-8-17(9-11-18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m0/s1
InChIKeyKLEPZFINKPNANB-AWEZNQCLSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine (CID 28973753) is (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine is CC(C)c1ccc(COc2ccc([C@H](C)N)cc2)cc1.
What is the InChIKey of (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is KLEPZFINKPNANB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-6-4-15(5-7-16)12-20-18-10-8-17(9-11-18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 28973753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).