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

C12H15ClN2 — CID 105480159

IUPAC(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCC2Cc3ccc(Cl)cc3N12
InChIInChI=1S/C12H15ClN2/c13-9-2-1-8-5-10-3-4-11(7-14)15(10)12(8)6-9/h1-2,6,10-11H,3-5,7,14H2
InChIKeyREUDABNZGUZHGB-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.19
Rot. Bonds1

About (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine

(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (PubChem CID 105480159) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
PubChem CID105480159
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
SMILESNCC1CCC2Cc3ccc(Cl)cc3N12
InChIInChI=1S/C12H15ClN2/c13-9-2-1-8-5-10-3-4-11(7-14)15(10)12(8)6-9/h1-2,6,10-11H,3-5,7,14H2
InChIKeyREUDABNZGUZHGB-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

(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763222
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
CID 105498592
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498616
2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84624761
8-chloro-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 166935669
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
7-chloro-1-ethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83754383
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The IUPAC name of (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine (CID 105480159) is (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine.
What is the SMILES notation for (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The canonical SMILES for (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is NCC1CCC2Cc3ccc(Cl)cc3N12.
What is the InChIKey of (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
The InChIKey is REUDABNZGUZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-9-2-1-8-5-10-3-4-11(7-14)15(10)12(8)6-9/h1-2,6,10-11H,3-5,7,14H2.
What are the key properties of (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine?
(7-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 (7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine is sourced from PubChem (CID 105480159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).