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

C12H15ClN2 — CID 66570978

IUPACN-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1c(Cl)cccc1NC1=NCC(C)C1
InChIInChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeySYOOJOVNBSZWPF-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.50
Rot. Bonds1

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

N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 66570978) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID66570978
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1c(Cl)cccc1NC1=NCC(C)C1
InChIInChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeySYOOJOVNBSZWPF-UHFFFAOYSA-N
XLogP3.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 66570978) is N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is Cc1c(Cl)cccc1NC1=NCC(C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is SYOOJOVNBSZWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 222.72 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 66570978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).