N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine

C14H21NO — CID 94682821

IUPACN-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
SMILESCCc1cc(CCNC2CC2)ccc1OC
InChIInChI=1S/C14H21NO/c1-3-12-10-11(4-7-14(12)16-2)8-9-15-13-5-6-13/h4,7,10,13,15H,3,5-6,8-9H2,1-2H3
InChIKeyNAXHRTDFHIUJGG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine

N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine (PubChem CID 94682821) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
PubChem CID94682821
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
SMILESCCc1cc(CCNC2CC2)ccc1OC
InChIInChI=1S/C14H21NO/c1-3-12-10-11(4-7-14(12)16-2)8-9-15-13-5-6-13/h4,7,10,13,15H,3,5-6,8-9H2,1-2H3
InChIKeyNAXHRTDFHIUJGG-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
2-(cyclopropylamino)-N-[(5-ethyl-2-methoxyphenyl)methyl]acetamide
CID 115158448
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine (CID 94682821) is N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine is CCc1cc(CCNC2CC2)ccc1OC.
What is the InChIKey of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is NAXHRTDFHIUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-10-11(4-7-14(12)16-2)8-9-15-13-5-6-13/h4,7,10,13,15H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine?
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 94682821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).