N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

C16H24N2 — CID 54885642

IUPACN-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CCCN1c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-15-4-3-11-18(15)16-9-5-13(6-10-16)12-17-14-7-8-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3
InChIKeyXNEFOIBLPYYLGJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.32
Rot. Bonds5

About N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 54885642) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID54885642
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CCCN1c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-15-4-3-11-18(15)16-9-5-13(6-10-16)12-17-14-7-8-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3
InChIKeyXNEFOIBLPYYLGJ-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
CID 65319734
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 61423904
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (CID 54885642) is N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is CCC1CCCN1c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XNEFOIBLPYYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-15-4-3-11-18(15)16-9-5-13(6-10-16)12-17-14-7-8-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54885642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).