N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine

C12H13ClN2 — CID 106816921

IUPACN-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2cccc2)cc1Cl
InChIInChI=1S/C12H13ClN2/c1-10-4-5-11(8-12(10)13)9-14-15-6-2-3-7-15/h2-8,14H,9H2,1H3
InChIKeyVODGJPDSATVPSN-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.19
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine

N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine (PubChem CID 106816921) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine
PubChem CID106816921
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2cccc2)cc1Cl
InChIInChI=1S/C12H13ClN2/c1-10-4-5-11(8-12(10)13)9-14-15-6-2-3-7-15/h2-8,14H,9H2,1H3
InChIKeyVODGJPDSATVPSN-UHFFFAOYSA-N
XLogP3.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine (CID 106816921) is N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine is Cc1ccc(CNn2cccc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine?
The InChIKey is VODGJPDSATVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-10-4-5-11(8-12(10)13)9-14-15-6-2-3-7-15/h2-8,14H,9H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine?
N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine has a molecular weight of 220.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 106816921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).