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

C18H23NO — CID 28973755

IUPAC(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
SMILESCC(C)c1ccc(COc2ccccc2[C@@H](C)N)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m1/s1
InChIKeyFJYNVAIFIXDLDH-CQSZACIVSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds5

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

(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine (PubChem CID 28973755) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
PubChem CID28973755
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
SMILESCC(C)c1ccc(COc2ccccc2[C@@H](C)N)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m1/s1
InChIKeyFJYNVAIFIXDLDH-CQSZACIVSA-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

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 43327841
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
1-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]ethanamine
CID 43189048
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine (CID 28973755) is (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine is CC(C)c1ccc(COc2ccccc2[C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is FJYNVAIFIXDLDH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19/h4-11,13-14H,12,19H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[2-[(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 (1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 28973755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).