(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine

C17H21NO — CID 78933049

IUPAC(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc([C@H](C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1
InChIKeyFQECPNGHOWLKEX-AWEZNQCLSA-N
MW255.36 g/mol
LogP3.90
Rot. Bonds4

About (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 78933049) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
PubChem CID78933049
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc([C@H](C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1
InChIKeyFQECPNGHOWLKEX-AWEZNQCLSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine (CID 78933049) is (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine is Cc1cc(C)cc(COc2ccc([C@H](C)N)cc2)c1.
What is the InChIKey of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is FQECPNGHOWLKEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-13(2)10-15(9-12)11-19-17-6-4-16(5-7-17)14(3)18/h4-10,14H,11,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78933049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).