(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

C12H15ClN2 — CID 105480153

IUPAC(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCC2Cc3c(Cl)cccc3N12
InChIInChI=1S/C12H15ClN2/c13-11-2-1-3-12-10(11)6-8-4-5-9(7-14)15(8)12/h1-3,8-9H,4-7,14H2
InChIKeyZNGKWVMNMNKYLV-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.19
Rot. Bonds1

About (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (PubChem CID 105480153) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
PubChem CID105480153
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCC2Cc3c(Cl)cccc3N12
InChIInChI=1S/C12H15ClN2/c13-11-2-1-3-12-10(11)6-8-4-5-9(7-14)15(8)12/h1-3,8-9H,4-7,14H2
InChIKeyZNGKWVMNMNKYLV-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
CID 105498592
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480159
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105498590
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740684
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
8-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-amine
CID 105462546
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
CID 104834247
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The IUPAC name of (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (CID 105480153) is (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.
What is the SMILES notation for (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The canonical SMILES for (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is NCC1CCC2Cc3c(Cl)cccc3N12.
What is the InChIKey of (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The InChIKey is ZNGKWVMNMNKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-2-1-3-12-10(11)6-8-4-5-9(7-14)15(8)12/h1-3,8-9H,4-7,14H2.
What are the key properties of (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine has a molecular weight of 222.72 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is sourced from PubChem (CID 105480153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).