N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine

C14H21NO — CID 79019318

IUPACN-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
SMILESCCOc1cccc(CCCNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-16-14-7-3-5-12(11-14)6-4-10-15-13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10H2,1H3
InChIKeyKOSMSCLJRBBGNW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine

N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine (PubChem CID 79019318) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
PubChem CID79019318
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
SMILESCCOc1cccc(CCCNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-16-14-7-3-5-12(11-14)6-4-10-15-13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10H2,1H3
InChIKeyKOSMSCLJRBBGNW-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
CID 66336792

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine (CID 79019318) is N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine is CCOc1cccc(CCCNC2CC2)c1.
What is the InChIKey of N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine?
The InChIKey is KOSMSCLJRBBGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-14-7-3-5-12(11-14)6-4-10-15-13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10H2,1H3.
What are the key properties of N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine?
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79019318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).