3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

C22H23NO — CID 54202558

IUPAC3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCOc1ccc(C=CCN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO/c1-23(16-6-7-18-12-14-21(24-2)15-13-18)17-20-10-5-9-19-8-3-4-11-22(19)20/h3-15H,16-17H2,1-2H3
InChIKeyPQHCATKXQGGEBT-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.99
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (PubChem CID 54202558) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
PubChem CID54202558
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCOc1ccc(C=CCN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO/c1-23(16-6-7-18-12-14-21(24-2)15-13-18)17-20-10-5-9-19-8-3-4-11-22(19)20/h3-15H,16-17H2,1-2H3
InChIKeyPQHCATKXQGGEBT-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate
CID 122547646
(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 12912976
N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine chloride
CID 71296891
azane;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
CID 87544603
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 118588145
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 176731953
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044134
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-[4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]phenoxy]propan-2-ol
CID 10231678
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 127048975
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (CID 54202558) is 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is COc1ccc(C=CCN(C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is PQHCATKXQGGEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-23(16-6-7-18-12-14-21(24-2)15-13-18)17-20-10-5-9-19-8-3-4-11-22(19)20/h3-15H,16-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 317.43 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 54202558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).