N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

C17H16N2 — CID 78909221

IUPACN-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc2c(c1)Cc1cc(NC3=NCCC3)ccc1-2
InChIInChI=1S/C17H16N2/c1-2-5-15-12(4-1)10-13-11-14(7-8-16(13)15)19-17-6-3-9-18-17/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,18,19)
InChIKeyITWCLWCLGDNVBR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.86
Rot. Bonds1

About N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 78909221) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID78909221
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc2c(c1)Cc1cc(NC3=NCCC3)ccc1-2
InChIInChI=1S/C17H16N2/c1-2-5-15-12(4-1)10-13-11-14(7-8-16(13)15)19-17-6-3-9-18-17/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,18,19)
InChIKeyITWCLWCLGDNVBR-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine
CID 139983188
5-N-(9H-fluoren-2-yl)pyridine-3,5-diamine
CID 104532159
N-(9H-fluoren-2-yl)formamide
CID 23389
14-anilinotricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 46888483
N-(4-bromo-3-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 82868277
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-(cyclopentylmethyl)-9H-fluoren-2-amine
CID 63419501
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719
N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
2-(9H-fluoren-2-ylamino)cyclohexan-1-ol
CID 60885260
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 78909221) is N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is c1ccc2c(c1)Cc1cc(NC3=NCCC3)ccc1-2.
What is the InChIKey of N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ITWCLWCLGDNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-5-15-12(4-1)10-13-11-14(7-8-16(13)15)19-17-6-3-9-18-17/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,18,19).
What are the key properties of N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 78909221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).