2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline

C17H18Cl2N2 — CID 43758691

IUPAC2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESClc1ccc(NCc2ccccc2N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-7-8-16(15(19)11-14)20-12-13-5-1-2-6-17(13)21-9-3-4-10-21/h1-2,5-8,11,20H,3-4,9-10,12H2
InChIKeyQBRYZRLOMNEOEN-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.21
Rot. Bonds4

About 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline

2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43758691) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43758691
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESClc1ccc(NCc2ccccc2N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-7-8-16(15(19)11-14)20-12-13-5-1-2-6-17(13)21-9-3-4-10-21/h1-2,5-8,11,20H,3-4,9-10,12H2
InChIKeyQBRYZRLOMNEOEN-UHFFFAOYSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60657557
3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
CID 133439673
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 79979680
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide
CID 20787689
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43758691) is 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is Clc1ccc(NCc2ccccc2N2CCCC2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is QBRYZRLOMNEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-14-7-8-16(15(19)11-14)20-12-13-5-1-2-6-17(13)21-9-3-4-10-21/h1-2,5-8,11,20H,3-4,9-10,12H2.
What are the key properties of 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline has a molecular weight of 321.25 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43758691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).