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

C12H17ClN2 — CID 83868804

IUPAC(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2cc(Cl)ccc21
InChIInChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyLWLVGHYOFVRBHL-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.61
Rot. Bonds2

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

(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (PubChem CID 83868804) 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-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
PubChem CID83868804
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2cc(Cl)ccc21
InChIInChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyLWLVGHYOFVRBHL-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202310
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
2-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202294
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 115006256
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
6-methyl-1-propan-2-yl-2,3-dihydroindol-3-amine
CID 83753003

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The IUPAC name of (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (CID 83868804) is (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine.
What is the SMILES notation for (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The canonical SMILES for (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine is CC(C)N1CC(CN)c2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The InChIKey is LWLVGHYOFVRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of (5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine has a molecular weight of 224.73 g/mol, XLogP of 2.61, 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-3-yl)methanamine is sourced from PubChem (CID 83868804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).