N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine

C17H20Cl2N2 — CID 79098339

IUPACN-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2ccc(Cl)c(Cl)c2)c1)C1CC1
InChIInChI=1S/C17H20Cl2N2/c1-2-20-17(13-4-5-13)14-7-8-21(11-14)10-12-3-6-15(18)16(19)9-12/h3,6-9,11,13,17,20H,2,4-5,10H2,1H3
InChIKeySUTNFQWUXDEBPJ-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.90
Rot. Bonds6

About N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine

N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 79098339) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID79098339
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC NameN-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2ccc(Cl)c(Cl)c2)c1)C1CC1
InChIInChI=1S/C17H20Cl2N2/c1-2-20-17(13-4-5-13)14-7-8-21(11-14)10-12-3-6-15(18)16(19)9-12/h3,6-9,11,13,17,20H,2,4-5,10H2,1H3
InChIKeySUTNFQWUXDEBPJ-UHFFFAOYSA-N
XLogP4.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045583
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105638
N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79103325
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
CID 79104017
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
CID 79103410
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 79098339) is N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNC(c1ccn(Cc2ccc(Cl)c(Cl)c2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is SUTNFQWUXDEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-20-17(13-4-5-13)14-7-8-21(11-14)10-12-3-6-15(18)16(19)9-12/h3,6-9,11,13,17,20H,2,4-5,10H2,1H3.
What are the key properties of N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 323.27 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79098339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).