N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

C16H22N2O — CID 96677257

IUPACN-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCOc1cccc2c(CCNC3CC3)c(C)n(C)c12
InChIInChI=1S/C16H22N2O/c1-11-13(9-10-17-12-7-8-12)14-5-4-6-15(19-3)16(14)18(11)2/h4-6,12,17H,7-10H2,1-3H3
InChIKeySNKMLGFWIHPAIF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (PubChem CID 96677257) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
PubChem CID96677257
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCOc1cccc2c(CCNC3CC3)c(C)n(C)c12
InChIInChI=1S/C16H22N2O/c1-11-13(9-10-17-12-7-8-12)14-5-4-6-15(19-3)16(14)18(11)2/h4-6,12,17H,7-10H2,1-3H3
InChIKeySNKMLGFWIHPAIF-UHFFFAOYSA-N
XLogP2.79
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine 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

3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
CID 98032946
N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048555
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
CID 83918424

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (CID 96677257) is N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is COc1cccc2c(CCNC3CC3)c(C)n(C)c12.
What is the InChIKey of N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The InChIKey is SNKMLGFWIHPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-13(9-10-17-12-7-8-12)14-5-4-6-15(19-3)16(14)18(11)2/h4-6,12,17H,7-10H2,1-3H3.
What are the key properties of N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine has a molecular weight of 258.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96677257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).