N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C18H26N2 — CID 66403975

IUPACN-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cn2ccc(CNC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H26N2/c1-14-6-7-16(10-15(14)2)12-20-9-8-17(13-20)11-19-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyWYMKNIYRYXTFSV-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.04
Rot. Bonds4

About N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66403975) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID66403975
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cn2ccc(CNC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H26N2/c1-14-6-7-16(10-15(14)2)12-20-9-8-17(13-20)11-19-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyWYMKNIYRYXTFSV-UHFFFAOYSA-N
XLogP4.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403968
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
1-[(3,4-dimethylphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409232
N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404786
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406189
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]ethanone
CID 79107037
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66405391
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109317

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 66403975) is N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(Cn2ccc(CNC(C)(C)C)c2)cc1C.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WYMKNIYRYXTFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14-6-7-16(10-15(14)2)12-20-9-8-17(13-20)11-19-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66403975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).