N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride

C14H21Cl3N2 — CID 6603199

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCCN1CCCC1CNCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-2-18-7-3-4-13(18)10-17-9-11-5-6-12(15)8-14(11)16;/h5-6,8,13,17H,2-4,7,9-10H2,1H3;1H
InChIKeyGANKXULMUPDSGU-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.99
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride

N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 6603199) has the molecular formula C14H21Cl3N2 and a molecular weight of 323.69 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID6603199
Molecular FormulaC14H21Cl3N2
Molecular Weight323.69 g/mol
Exact Mass322.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCCN1CCCC1CNCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-2-18-7-3-4-13(18)10-17-9-11-5-6-12(15)8-14(11)16;/h5-6,8,13,17H,2-4,7,9-10H2,1H3;1H
InChIKeyGANKXULMUPDSGU-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride (CID 6603199) is N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride is CCN1CCCC1CNCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is GANKXULMUPDSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2.ClH/c1-2-18-7-3-4-13(18)10-17-9-11-5-6-12(15)8-14(11)16;/h5-6,8,13,17H,2-4,7,9-10H2,1H3;1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 323.69 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 6603199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).