N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

C16H20N2 — CID 66413645

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCCn1cccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2/c1-2-18-10-4-7-16(18)12-17-15-9-8-13-5-3-6-14(13)11-15/h4,7-11,17H,2-3,5-6,12H2,1H3
InChIKeyKJDDISRNTWAWIR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.61
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 66413645) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID66413645
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCCn1cccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2/c1-2-18-10-4-7-16(18)12-17-15-9-8-13-5-3-6-14(13)11-15/h4,7-11,17H,2-3,5-6,12H2,1H3
InChIKeyKJDDISRNTWAWIR-UHFFFAOYSA-N
XLogP3.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401248
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
3-chloro-N-[(1-ethylpyrrol-2-yl)methyl]-4-propan-2-yloxyaniline
CID 66412521
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 66413497
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-5-amine
CID 54962038

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 66413645) is N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is CCn1cccc1CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is KJDDISRNTWAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-18-10-4-7-16(18)12-17-15-9-8-13-5-3-6-14(13)11-15/h4,7-11,17H,2-3,5-6,12H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 240.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 66413645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).