cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine

C16H20N2O — CID 79104344

IUPACcyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCOc1ccccc1Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C16H20N2O/c1-19-15-5-3-2-4-13(15)10-18-9-8-14(11-18)16(17)12-6-7-12/h2-5,8-9,11-12,16H,6-7,10,17H2,1H3
InChIKeyDVQHSCIKKUOYAP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds5

About cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine

cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 79104344) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
PubChem CID79104344
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Namecyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCOc1ccccc1Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C16H20N2O/c1-19-15-5-3-2-4-13(15)10-18-9-8-14(11-18)16(17)12-6-7-12/h2-5,8-9,11-12,16H,6-7,10,17H2,1H3
InChIKeyDVQHSCIKKUOYAP-UHFFFAOYSA-N
XLogP2.95
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383
[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103220
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
CID 79104428
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79104518
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103464
1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409449
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 79103370

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine (CID 79104344) is cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine is COc1ccccc1Cn1ccc(C(N)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is DVQHSCIKKUOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-15-5-3-2-4-13(15)10-18-9-8-14(11-18)16(17)12-6-7-12/h2-5,8-9,11-12,16H,6-7,10,17H2,1H3.
What are the key properties of cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine?
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).