N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine

C14H21NO — CID 64866845

IUPACN-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
SMILESCCCOc1cccc(CCNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-10-16-14-5-3-4-12(11-14)8-9-15-13-6-7-13/h3-5,11,13,15H,2,6-10H2,1H3
InChIKeyHGGXMMJYFTUALM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds7

About N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine

N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine (PubChem CID 64866845) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
PubChem CID64866845
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
SMILESCCCOc1cccc(CCNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-2-10-16-14-5-3-4-12(11-14)8-9-15-13-6-7-13/h3-5,11,13,15H,2,6-10H2,1H3
InChIKeyHGGXMMJYFTUALM-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

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine (CID 64866845) is N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine is CCCOc1cccc(CCNC2CC2)c1.
What is the InChIKey of N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is HGGXMMJYFTUALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-10-16-14-5-3-4-12(11-14)8-9-15-13-6-7-13/h3-5,11,13,15H,2,6-10H2,1H3.
What are the key properties of N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine?
N-[2-(3-propoxyphenyl)ethyl]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-[2-(3-propoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 64866845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).