N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine

C13H19NO2 — CID 62801628

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1ccc(CCNC2CC2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-12-6-3-10(13(9-12)16-2)7-8-14-11-4-5-11/h3,6,9,11,14H,4-5,7-8H2,1-2H3
InChIKeyBDRZXUBMCYCTDO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine

N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine (PubChem CID 62801628) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
PubChem CID62801628
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1ccc(CCNC2CC2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-12-6-3-10(13(9-12)16-2)7-8-14-11-4-5-11/h3,6,9,11,14H,4-5,7-8H2,1-2H3
InChIKeyBDRZXUBMCYCTDO-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 64665840
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
3-[2-(2,4-dimethoxyphenyl)ethylamino]propane-1-thiol
CID 115225109
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine (CID 62801628) is N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine is COc1ccc(CCNC2CC2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is BDRZXUBMCYCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-6-3-10(13(9-12)16-2)7-8-14-11-4-5-11/h3,6,9,11,14H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine?
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine has a molecular weight of 221.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 62801628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).