N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C17H26N2 — CID 79749734

IUPACN-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CCN1CCC(CNC2CC2)C1
InChIInChI=1S/C17H26N2/c1-14-4-2-3-5-16(14)9-11-19-10-8-15(13-19)12-18-17-6-7-17/h2-5,15,17-18H,6-13H2,1H3
InChIKeyXLRKINHGUBIZRY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.61
Rot. Bonds6

About N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 79749734) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID79749734
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CCN1CCC(CNC2CC2)C1
InChIInChI=1S/C17H26N2/c1-14-4-2-3-5-16(14)9-11-19-10-8-15(13-19)12-18-17-6-7-17/h2-5,15,17-18H,6-13H2,1H3
InChIKeyXLRKINHGUBIZRY-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79749802
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513584
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
CID 79755831
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413
1-ethyl-2-[(2-methylphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111359385

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 79749734) is N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine is Cc1ccccc1CCN1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is XLRKINHGUBIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-4-2-3-5-16(14)9-11-19-10-8-15(13-19)12-18-17-6-7-17/h2-5,15,17-18H,6-13H2,1H3.
What are the key properties of N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79749734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).