N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H16N2 — CID 20595374

IUPACN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccccc1CNC1=NCCC1
InChIInChI=1S/C12H16N2/c1-10-5-2-3-6-11(10)9-14-12-7-4-8-13-12/h2-3,5-6H,4,7-9H2,1H3,(H,13,14)
InChIKeyNWWHZKGCXXADKI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.28
Rot. Bonds2

About N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 20595374) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID20595374
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccccc1CNC1=NCCC1
InChIInChI=1S/C12H16N2/c1-10-5-2-3-6-11(10)9-14-12-7-4-8-13-12/h2-3,5-6H,4,7-9H2,1H3,(H,13,14)
InChIKeyNWWHZKGCXXADKI-UHFFFAOYSA-N
XLogP2.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507387
N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2123179
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine
CID 46389062
N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
CID 4727778
N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 83960875
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 20595374) is N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Cc1ccccc1CNC1=NCCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NWWHZKGCXXADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-5-2-3-6-11(10)9-14-12-7-4-8-13-12/h2-3,5-6H,4,7-9H2,1H3,(H,13,14).
What are the key properties of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 188.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 20595374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).