N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine

C14H17ClN2 — CID 114107722

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-2-9-5-13(9)16-7-10-8-17-14-6-11(15)3-4-12(10)14/h3-4,6,8-9,13,16-17H,2,5,7H2,1H3
InChIKeyWAPZHFXELZEDAR-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.71
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine (PubChem CID 114107722) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
PubChem CID114107722
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2/c1-2-9-5-13(9)16-7-10-8-17-14-6-11(15)3-4-12(10)14/h3-4,6,8-9,13,16-17H,2,5,7H2,1H3
InChIKeyWAPZHFXELZEDAR-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
CID 106359414
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
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
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine (CID 114107722) is N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine is CCC1CC1NCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The InChIKey is WAPZHFXELZEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-9-5-13(9)16-7-10-8-17-14-6-11(15)3-4-12(10)14/h3-4,6,8-9,13,16-17H,2,5,7H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine has a molecular weight of 248.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 114107722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).