2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine

C14H21NO — CID 107852145

IUPAC2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cccc(CCNCCC2CC2)c1
InChIInChI=1S/C14H21NO/c1-16-14-4-2-3-13(11-14)8-10-15-9-7-12-5-6-12/h2-4,11-12,15H,5-10H2,1H3
InChIKeyMKMHUQGBHKOXNY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds7

About 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine

2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine (PubChem CID 107852145) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
PubChem CID107852145
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cccc(CCNCCC2CC2)c1
InChIInChI=1S/C14H21NO/c1-16-14-4-2-3-13(11-14)8-10-15-9-7-12-5-6-12/h2-4,11-12,15H,5-10H2,1H3
InChIKeyMKMHUQGBHKOXNY-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 103846287
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 125164340

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine (CID 107852145) is 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine is COc1cccc(CCNCCC2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The InChIKey is MKMHUQGBHKOXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-14-4-2-3-13(11-14)8-10-15-9-7-12-5-6-12/h2-4,11-12,15H,5-10H2,1H3.
What are the key properties of 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 107852145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).