5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine

C21H26N2 — CID 67867198

IUPAC5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
SMILESCC1(N2CCC(c3ccccc3)C2)CCCc2cc(N)ccc21
InChIInChI=1S/C21H26N2/c1-21(12-5-8-17-14-19(22)9-10-20(17)21)23-13-11-18(15-23)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,18H,5,8,11-13,15,22H2,1H3
InChIKeyIBMXNWNVBYOSKY-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.31
Rot. Bonds2

About 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine

5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine (PubChem CID 67867198) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine.

Molecular Properties

Compound Name5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
PubChem CID67867198
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
SMILESCC1(N2CCC(c3ccccc3)C2)CCCc2cc(N)ccc21
InChIInChI=1S/C21H26N2/c1-21(12-5-8-17-14-19(22)9-10-20(17)21)23-13-11-18(15-23)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,18H,5,8,11-13,15,22H2,1H3
InChIKeyIBMXNWNVBYOSKY-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
CID 76819633
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 79950950
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CID 67913403
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CID 82824035
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
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5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
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5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
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3-phenylpyrrolidine-1-sulfonamide
CID 112687850
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62133228
2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 75593274

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine?
The IUPAC name of 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine (CID 67867198) is 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine.
What is the SMILES notation for 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine?
The canonical SMILES for 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine is CC1(N2CCC(c3ccccc3)C2)CCCc2cc(N)ccc21.
What is the InChIKey of 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine?
The InChIKey is IBMXNWNVBYOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-21(12-5-8-17-14-19(22)9-10-20(17)21)23-13-11-18(15-23)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,18H,5,8,11-13,15,22H2,1H3.
What are the key properties of 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine?
5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine is sourced from PubChem (CID 67867198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).