1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine

C16H19BrN2 — CID 79104017

IUPAC1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccn(Cc2ccc(Br)cc2)c1)C1CC1
InChIInChI=1S/C16H19BrN2/c1-18-16(13-4-5-13)14-8-9-19(11-14)10-12-2-6-15(17)7-3-12/h2-3,6-9,11,13,16,18H,4-5,10H2,1H3
InChIKeyJBIUSFRATAYGJZ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine

1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 79104017) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
PubChem CID79104017
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccn(Cc2ccc(Br)cc2)c1)C1CC1
InChIInChI=1S/C16H19BrN2/c1-18-16(13-4-5-13)14-8-9-19(11-14)10-12-2-6-15(17)7-3-12/h2-3,6-9,11,13,16,18H,4-5,10H2,1H3
InChIKeyJBIUSFRATAYGJZ-UHFFFAOYSA-N
XLogP3.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
1-cyclopropyl-1-[1-(4,4-dimethylpentyl)pyrrol-3-yl]-N-methylmethanamine
CID 114209707
methyl 2-[3-[cyclopropyl(methylamino)methyl]pyrrol-1-yl]acetate
CID 79103308
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine
CID 103136355
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
1-cyclopropyl-N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79103755
1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 107913107
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105497

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine (CID 79104017) is 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine is CNC(c1ccn(Cc2ccc(Br)cc2)c1)C1CC1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is JBIUSFRATAYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-18-16(13-4-5-13)14-8-9-19(11-14)10-12-2-6-15(17)7-3-12/h2-3,6-9,11,13,16,18H,4-5,10H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine?
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 319.25 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 79104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).