N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine

C16H22N2 — CID 66401206

IUPACN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1cccc1CNC(C)C
InChIInChI=1S/C16H22N2/c1-13(2)17-11-16-9-6-10-18(16)12-15-8-5-4-7-14(15)3/h4-10,13,17H,11-12H2,1-3H3
InChIKeyUTDDXWUIBAXKEL-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66401206) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66401206
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1cccc1CNC(C)C
InChIInChI=1S/C16H22N2/c1-13(2)17-11-16-9-6-10-18(16)12-15-8-5-4-7-14(15)3/h4-10,13,17H,11-12H2,1-3H3
InChIKeyUTDDXWUIBAXKEL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
N-[[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 105405116
1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951475
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401605
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
CID 20963925
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 66401206) is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine is Cc1ccccc1Cn1cccc1CNC(C)C.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is UTDDXWUIBAXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(2)17-11-16-9-6-10-18(16)12-15-8-5-4-7-14(15)3/h4-10,13,17H,11-12H2,1-3H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66401206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).