2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine

C19H23NO — CID 60904917

IUPAC2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OC/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-15-13-18(10-11-20)14-16(2)19(15)21-12-6-9-17-7-4-3-5-8-17/h3-9,13-14H,10-12,20H2,1-2H3/b9-6+
InChIKeyAUJKWBNMALRULI-RMKNXTFCSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds6

About 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine

2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine (PubChem CID 60904917) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
PubChem CID60904917
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OC/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-15-13-18(10-11-20)14-16(2)19(15)21-12-6-9-17-7-4-3-5-8-17/h3-9,13-14H,10-12,20H2,1-2H3/b9-6+
InChIKeyAUJKWBNMALRULI-RMKNXTFCSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
CID 81253217
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
1-[3,5-dibromo-4-[(E)-3-phenylprop-2-enoxy]phenyl]-N-methylmethanamine
CID 107741861
[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 60890207
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine (CID 60904917) is 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine is Cc1cc(CCN)cc(C)c1OC/C=C/c1ccccc1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine?
The InChIKey is AUJKWBNMALRULI-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-13-18(10-11-20)14-16(2)19(15)21-12-6-9-17-7-4-3-5-8-17/h3-9,13-14H,10-12,20H2,1-2H3/b9-6+.
What are the key properties of 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine?
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine is sourced from PubChem (CID 60904917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).