N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

C14H17ClN2 — CID 79100478

IUPACN-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c1-10-7-8-11(2)17(10)16-12(3)13-5-4-6-14(15)9-13/h4-9,12,16H,1-3H3
InChIKeyXFVQFSOUMXJVDE-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79100478) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79100478
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c1-10-7-8-11(2)17(10)16-12(3)13-5-4-6-14(15)9-13/h4-9,12,16H,1-3H3
InChIKeyXFVQFSOUMXJVDE-UHFFFAOYSA-N
XLogP4.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103578383

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79100478) is N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is XFVQFSOUMXJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10-7-8-11(2)17(10)16-12(3)13-5-4-6-14(15)9-13/h4-9,12,16H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 248.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).