N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine

C19H28N2 — CID 4792482

IUPACN-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(C)n(CC(C)C)c2C)cc1
InChIInChI=1S/C19H28N2/c1-14(2)13-21-16(4)10-19(17(21)5)12-20-11-18-8-6-15(3)7-9-18/h6-10,14,20H,11-13H2,1-5H3
InChIKeyHBGGLCRKWVUNGO-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.36
Rot. Bonds6

About N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine

N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 4792482) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID4792482
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(C)n(CC(C)C)c2C)cc1
InChIInChI=1S/C19H28N2/c1-14(2)13-21-16(4)10-19(17(21)5)12-20-11-18-8-6-15(3)7-9-18/h6-10,14,20H,11-13H2,1-5H3
InChIKeyHBGGLCRKWVUNGO-UHFFFAOYSA-N
XLogP4.36
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)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

N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
2,7-dimethyl-9-(2-methylpropyl)carbazole
CID 130182520
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]methanamine
CID 46946071

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine (CID 4792482) is N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2cc(C)n(CC(C)C)c2C)cc1.
What is the InChIKey of N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is HBGGLCRKWVUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)13-21-16(4)10-19(17(21)5)12-20-11-18-8-6-15(3)7-9-18/h6-10,14,20H,11-13H2,1-5H3.
What are the key properties of N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine?
N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 284.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 4792482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).