N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine

C21H26N2 — CID 134382841

IUPACN-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(N(CC[C@@H]2CCCN2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H26N2/c1-2-10-20(11-3-1)23(14-12-19-9-6-13-22-19)21-15-17-7-4-5-8-18(17)16-21/h1-5,7-8,10-11,19,21-22H,6,9,12-16H2/t19-/m0/s1
InChIKeyXTGKHABZGXAVSV-IBGZPJMESA-N
MW306.45 g/mol
LogP3.80
Rot. Bonds5

About N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine

N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 134382841) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID134382841
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(N(CC[C@@H]2CCCN2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H26N2/c1-2-10-20(11-3-1)23(14-12-19-9-6-13-22-19)21-15-17-7-4-5-8-18(17)16-21/h1-5,7-8,10-11,19,21-22H,6,9,12-16H2/t19-/m0/s1
InChIKeyXTGKHABZGXAVSV-IBGZPJMESA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 144575319
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123700312
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 134382774
N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine
CID 67172974
N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 123562118
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893460
sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 159827897
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395
N-methyl-N-(2-piperidin-2-ylethyl)cyclohexanamine
CID 43149893

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine (CID 134382841) is N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine is c1ccc(N(CC[C@@H]2CCCN2)C2Cc3ccccc3C2)cc1.
What is the InChIKey of N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XTGKHABZGXAVSV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2/c1-2-10-20(11-3-1)23(14-12-19-9-6-13-22-19)21-15-17-7-4-5-8-18(17)16-21/h1-5,7-8,10-11,19,21-22H,6,9,12-16H2/t19-/m0/s1.
What are the key properties of N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine?
N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 306.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 134382841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).