[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine

C11H13Cl3N2 — CID 43126555

IUPAC[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C11H13Cl3N2/c12-8-3-9(13)11(10(14)4-8)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyVLNYEQRAYCVWIP-UHFFFAOYSA-N
MW279.60 g/mol
LogP3.43
Rot. Bonds2

About [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine

[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 43126555) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID43126555
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC Name[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C11H13Cl3N2/c12-8-3-9(13)11(10(14)4-8)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyVLNYEQRAYCVWIP-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081291
[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol
CID 106890701
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
4-[3-(aminomethyl)pyrrolidin-1-yl]-3,5-difluorobenzoic acid
CID 63184853
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline
CID 106890070
2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine (CID 43126555) is [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is VLNYEQRAYCVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2/c12-8-3-9(13)11(10(14)4-8)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2.
What are the key properties of [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 279.60 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 43126555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).