N-[(2-chlorophenyl)methyl]pyrrol-1-amine

C11H11ClN2 — CID 79090892

IUPACN-[(2-chlorophenyl)methyl]pyrrol-1-amine
SMILESClc1ccccc1CNn1cccc1
InChIInChI=1S/C11H11ClN2/c12-11-6-2-1-5-10(11)9-13-14-7-3-4-8-14/h1-8,13H,9H2
InChIKeyNJSHAULMZPJOAN-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.89
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]pyrrol-1-amine

N-[(2-chlorophenyl)methyl]pyrrol-1-amine (PubChem CID 79090892) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrrol-1-amine
PubChem CID79090892
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC NameN-[(2-chlorophenyl)methyl]pyrrol-1-amine
SMILESClc1ccccc1CNn1cccc1
InChIInChI=1S/C11H11ClN2/c12-11-6-2-1-5-10(11)9-13-14-7-3-4-8-14/h1-8,13H,9H2
InChIKeyNJSHAULMZPJOAN-UHFFFAOYSA-N
XLogP2.89
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
CID 112607031
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
CID 79090979
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
N-[(2-chlorophenyl)methyl]-2,3-didehydro-4,5-dihydroimidazol-3-ium-1-amine;hydroiodide
CID 175537363
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604460
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 29034132
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrrol-1-amine (CID 79090892) is N-[(2-chlorophenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrrol-1-amine is Clc1ccccc1CNn1cccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrrol-1-amine?
The InChIKey is NJSHAULMZPJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-11-6-2-1-5-10(11)9-13-14-7-3-4-8-14/h1-8,13H,9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]pyrrol-1-amine?
N-[(2-chlorophenyl)methyl]pyrrol-1-amine has a molecular weight of 206.68 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79090892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).