N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine

C14H17ClN2 — CID 113463718

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H17ClN2/c1-9-6-10(9)7-16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,9-10,16-17H,6-8H2,1H3
InChIKeyOOVLUFOTRNMOOG-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.57
Rot. Bonds4

About N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 113463718) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID113463718
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H17ClN2/c1-9-6-10(9)7-16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,9-10,16-17H,6-8H2,1H3
InChIKeyOOVLUFOTRNMOOG-UHFFFAOYSA-N
XLogP3.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107760
N-[(3-chloro-1H-indol-2-yl)methyl]pent-4-yn-1-amine
CID 114159971
2-[(3-chloro-1H-indol-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334546
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544334
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104325
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
CID 64550785
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
tert-butyl N-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245125
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106394904

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 113463718) is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine is CC1CC1CNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is OOVLUFOTRNMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-6-10(9)7-16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,9-10,16-17H,6-8H2,1H3.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 248.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 113463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).