(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine

C12H17ClN2 — CID 83868738

IUPAC(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
SMILESCC(C)N1c2ccc(Cl)cc2CC1CN
InChIInChI=1S/C12H17ClN2/c1-8(2)15-11(7-14)6-9-5-10(13)3-4-12(9)15/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyJENOEVZDKWXTCY-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.44
Rot. Bonds2

About (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine

(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine (PubChem CID 83868738) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
PubChem CID83868738
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
SMILESCC(C)N1c2ccc(Cl)cc2CC1CN
InChIInChI=1S/C12H17ClN2/c1-8(2)15-11(7-14)6-9-5-10(13)3-4-12(9)15/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyJENOEVZDKWXTCY-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 86033646
N-methyl-1-(5-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117200838
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
(7-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480159
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201111

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine (CID 83868738) is (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine is CC(C)N1c2ccc(Cl)cc2CC1CN.
What is the InChIKey of (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine?
The InChIKey is JENOEVZDKWXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)15-11(7-14)6-9-5-10(13)3-4-12(9)15/h3-5,8,11H,6-7,14H2,1-2H3.
What are the key properties of (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine?
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine has a molecular weight of 224.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 83868738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).