2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine

C22H23N — CID 57178227

IUPAC2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
SMILESCC(=Cc1ccccc1)CNC(C)c1cccc2ccccc12
InChIInChI=1S/C22H23N/c1-17(15-19-9-4-3-5-10-19)16-23-18(2)21-14-8-12-20-11-6-7-13-22(20)21/h3-15,18,23H,16H2,1-2H3
InChIKeyBADOJKRMMFOOHH-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.59
Rot. Bonds5

About 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine

2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine (PubChem CID 57178227) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
PubChem CID57178227
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
SMILESCC(=Cc1ccccc1)CNC(C)c1cccc2ccccc12
InChIInChI=1S/C22H23N/c1-17(15-19-9-4-3-5-10-19)16-23-18(2)21-14-8-12-20-11-6-7-13-22(20)21/h3-15,18,23H,16H2,1-2H3
InChIKeyBADOJKRMMFOOHH-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
CID 68849510
N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
CID 115633162
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
2-(1-naphthalen-1-ylethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 112800942
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine (CID 57178227) is 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine is CC(=Cc1ccccc1)CNC(C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is BADOJKRMMFOOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-17(15-19-9-4-3-5-10-19)16-23-18(2)21-14-8-12-20-11-6-7-13-22(20)21/h3-15,18,23H,16H2,1-2H3.
What are the key properties of 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine?
2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 301.43 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 57178227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).