[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine

C14H17ClN2 — CID 178197054

IUPAC[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-14(2)11(6-16)13(14)10-7-17-12-5-8(15)3-4-9(10)12/h3-5,7,11,13,17H,6,16H2,1-2H3/t11-,13-/m1/s1
InChIKeyMIZGNNDHKNORBA-DGCLKSJQSA-N
MW248.76 g/mol
LogP3.52
Rot. Bonds2

About [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197054) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197054
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-14(2)11(6-16)13(14)10-7-17-12-5-8(15)3-4-9(10)12/h3-5,7,11,13,17H,6,16H2,1-2H3/t11-,13-/m1/s1
InChIKeyMIZGNNDHKNORBA-DGCLKSJQSA-N
XLogP3.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,3R)-3-(2-bromo-5-chlorophenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178198075
(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677172
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
2-amino-2-[(6-chloro-1H-indol-3-yl)methyl]-3-oxobutanoic acid
CID 154514584
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544239

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine (CID 178197054) is [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is MIZGNNDHKNORBA-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-14(2)11(6-16)13(14)10-7-17-12-5-8(15)3-4-9(10)12/h3-5,7,11,13,17H,6,16H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 248.76 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).