(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine

C11H15ClN2 — CID 117198789

IUPAC(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(Cl)c2CC1CN
InChIInChI=1S/C11H15ClN2/c1-2-14-8(7-13)6-9-10(12)4-3-5-11(9)14/h3-5,8H,2,6-7,13H2,1H3
InChIKeyTWOKEKQUODHLOY-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.05
Rot. Bonds2

About (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine

(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine (PubChem CID 117198789) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
PubChem CID117198789
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(Cl)c2CC1CN
InChIInChI=1S/C11H15ClN2/c1-2-14-8(7-13)6-9-10(12)4-3-5-11(9)14/h3-5,8H,2,6-7,13H2,1H3
InChIKeyTWOKEKQUODHLOY-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
CID 105498592
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105498590
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine (CID 117198789) is (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine is CCN1c2cccc(Cl)c2CC1CN.
What is the InChIKey of (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine?
The InChIKey is TWOKEKQUODHLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-2-14-8(7-13)6-9-10(12)4-3-5-11(9)14/h3-5,8H,2,6-7,13H2,1H3.
What are the key properties of (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine?
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine has a molecular weight of 210.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 117198789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).