2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine

C16H24N2O — CID 103998390

IUPAC2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O/c1-18(6-7-19-12-13-2-3-13)11-14-4-5-15-9-17-10-16(15)8-14/h4-5,8,13,17H,2-3,6-7,9-12H2,1H3
InChIKeyMWFZRQXNBOUCHO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine

2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine (PubChem CID 103998390) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
PubChem CID103998390
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O/c1-18(6-7-19-12-13-2-3-13)11-14-4-5-15-9-17-10-16(15)8-14/h4-5,8,13,17H,2-3,6-7,9-12H2,1H3
InChIKeyMWFZRQXNBOUCHO-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
1-[3-(cyclopropylmethoxy)propyl]-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methylguanidine
CID 111969103
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
CID 103998191
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117841
3-chloro-4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]benzoic acid
CID 102670015
2-(cyclopropylmethoxy)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906913

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine (CID 103998390) is 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine is CN(CCOCC1CC1)Cc1ccc2c(c1)CNC2.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine?
The InChIKey is MWFZRQXNBOUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(6-7-19-12-13-2-3-13)11-14-4-5-15-9-17-10-16(15)8-14/h4-5,8,13,17H,2-3,6-7,9-12H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine?
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 103998390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).