N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine

C17H22N2O — CID 66405569

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2ccc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H22N2O/c1-20-17-6-2-14(3-7-17)8-10-19-11-9-15(13-19)12-18-16-4-5-16/h2-3,6-7,9,11,13,16,18H,4-5,8,10,12H2,1H3
InChIKeyAFNASTHYRXZKGW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.99
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 66405569) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID66405569
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CCn2ccc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H22N2O/c1-20-17-6-2-14(3-7-17)8-10-19-11-9-15(13-19)12-18-16-4-5-16/h2-3,6-7,9,11,13,16,18H,4-5,8,10,12H2,1H3
InChIKeyAFNASTHYRXZKGW-UHFFFAOYSA-N
XLogP2.99
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
CID 66406178
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65441861
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine (CID 66405569) is N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine is COc1ccc(CCn2ccc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is AFNASTHYRXZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-17-6-2-14(3-7-17)8-10-19-11-9-15(13-19)12-18-16-4-5-16/h2-3,6-7,9,11,13,16,18H,4-5,8,10,12H2,1H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66405569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).