1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine

C16H22N2 — CID 66413651

IUPAC1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
SMILESCCCn1cccc1CNCc1ccc(C)cc1
InChIInChI=1S/C16H22N2/c1-3-10-18-11-4-5-16(18)13-17-12-15-8-6-14(2)7-9-15/h4-9,11,17H,3,10,12-13H2,1-2H3
InChIKeyOYWOVFSEBDJJMT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine

1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine (PubChem CID 66413651) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
PubChem CID66413651
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
SMILESCCCn1cccc1CNCc1ccc(C)cc1
InChIInChI=1S/C16H22N2/c1-3-10-18-11-4-5-16(18)13-17-12-15-8-6-14(2)7-9-15/h4-9,11,17H,3,10,12-13H2,1-2H3
InChIKeyOYWOVFSEBDJJMT-UHFFFAOYSA-N
XLogP3.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413347
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66412559
1-(4-methylphenyl)-N-[[1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]methanamine
CID 20926721
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine (CID 66413651) is 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine is CCCn1cccc1CNCc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The InChIKey is OYWOVFSEBDJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-10-18-11-4-5-16(18)13-17-12-15-8-6-14(2)7-9-15/h4-9,11,17H,3,10,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 66413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).