N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C17H26N2O — CID 43768001

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(NCCN2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-5-14)18-10-13-19-11-2-3-12-19/h6-9,14,17-18H,2-5,10-13H2,1H3
InChIKeyUGAOUUBKZJJGKG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 43768001) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID43768001
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(NCCN2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-5-14)18-10-13-19-11-2-3-12-19/h6-9,14,17-18H,2-5,10-13H2,1H3
InChIKeyUGAOUUBKZJJGKG-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80684230
N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134017722
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
4-[3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propoxy]benzonitrile
CID 112840952

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 43768001) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is COc1ccc(C(NCCN2CCCC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is UGAOUUBKZJJGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-5-14)18-10-13-19-11-2-3-12-19/h6-9,14,17-18H,2-5,10-13H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43768001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).