N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C16H22N2 — CID 66397712

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccn(C)c2)cc1
InChIInChI=1S/C16H22N2/c1-13(2)16-6-4-14(5-7-16)10-17-11-15-8-9-18(3)12-15/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyWEPSFSVIQMRULF-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.44
Rot. Bonds5

About N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 66397712) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID66397712
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccn(C)c2)cc1
InChIInChI=1S/C16H22N2/c1-13(2)16-6-4-14(5-7-16)10-17-11-15-8-9-18(3)12-15/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyWEPSFSVIQMRULF-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
1-(6-methyl-3-pyridinyl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66398571
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 66397712) is N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNCc2ccn(C)c2)cc1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is WEPSFSVIQMRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(2)16-6-4-14(5-7-16)10-17-11-15-8-9-18(3)12-15/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 66397712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).