N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine

C16H22N2 — CID 114196044

IUPACN-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C16H22N2/c1-4-17-11-16-9-10-18(14(16)3)12-15-7-5-13(2)6-8-15/h5-10,17H,4,11-12H2,1-3H3
InChIKeyUZKYQWDAKYKSFP-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.26
Rot. Bonds5

About N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine

N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 114196044) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID114196044
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C16H22N2/c1-4-17-11-16-9-10-18(14(16)3)12-15-7-5-13(2)6-8-15/h5-10,17H,4,11-12H2,1-3H3
InChIKeyUZKYQWDAKYKSFP-UHFFFAOYSA-N
XLogP3.26
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-iodophenyl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
CID 114196038
N-[[2-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196023
N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
CID 114196031
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
CID 10561391
1-(1-ethyl-2-methylpyrrol-3-yl)-N-methylmethanamine
CID 126973820
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
methyl 2-formyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylate
CID 84618010
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
N-[[1-[(4-iodophenyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
CID 65491544
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 114196044) is N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(Cc2ccc(C)cc2)c1C.
What is the InChIKey of N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is UZKYQWDAKYKSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-17-11-16-9-10-18(14(16)3)12-15-7-5-13(2)6-8-15/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 114196044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).