6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine

C21H21N — CID 145303326

IUPAC6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine
SMILESC=C(CCc1ccc2cc(C)ccc2c1N)c1ccccc1
InChIInChI=1S/C21H21N/c1-15-8-13-20-19(14-15)12-11-18(21(20)22)10-9-16(2)17-6-4-3-5-7-17/h3-8,11-14H,2,9-10,22H2,1H3
InChIKeyFTSLWJJBHRWIAT-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.38
Rot. Bonds4

About 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine

6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine (PubChem CID 145303326) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine.

Molecular Properties

Compound Name6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine
PubChem CID145303326
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine
SMILESC=C(CCc1ccc2cc(C)ccc2c1N)c1ccccc1
InChIInChI=1S/C21H21N/c1-15-8-13-20-19(14-15)12-11-18(21(20)22)10-9-16(2)17-6-4-3-5-7-17/h3-8,11-14H,2,9-10,22H2,1H3
InChIKeyFTSLWJJBHRWIAT-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
CID 142406851
pent-1-en-2-ylbenzene
CID 521761
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
[(Z)-1,3-diphenylprop-1-enyl]hydrazine;6-methyl-2-[(1Z)-3-phenylmethoxybuta-1,3-dienyl]naphthalen-1-amine
CID 145261332
3-methyl-6-(4-phenylbut-1-en-2-yl)quinoline
CID 143057310
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
2,7-dimethylphenanthrene;ethane
CID 91503011
2-phenylprop-2-en-1-amine;propane
CID 143101756
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
benzene;2-methylnaphthalene
CID 159438891
2-hexadecylnaphthalen-1-amine
CID 57354886

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine?
The IUPAC name of 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine (CID 145303326) is 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine.
What is the SMILES notation for 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine?
The canonical SMILES for 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine is C=C(CCc1ccc2cc(C)ccc2c1N)c1ccccc1.
What is the InChIKey of 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine?
The InChIKey is FTSLWJJBHRWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15-8-13-20-19(14-15)12-11-18(21(20)22)10-9-16(2)17-6-4-3-5-7-17/h3-8,11-14H,2,9-10,22H2,1H3.
What are the key properties of 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine?
6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine has a molecular weight of 287.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-phenylbut-3-enyl)naphthalen-1-amine is sourced from PubChem (CID 145303326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).