N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine

C20H24Cl2N2 — CID 110826713

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(Cl)cc2Cl)N2CCCC2)cc1
InChIInChI=1S/C20H24Cl2N2/c1-15-4-6-16(7-5-15)20(24-10-2-3-11-24)14-23-13-17-8-9-18(21)12-19(17)22/h4-9,12,20,23H,2-3,10-11,13-14H2,1H3
InChIKeyFINXJTJKHZBPRM-UHFFFAOYSA-N
MW363.33 g/mol
LogP5.23
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine

N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 110826713) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID110826713
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(Cl)cc2Cl)N2CCCC2)cc1
InChIInChI=1S/C20H24Cl2N2/c1-15-4-6-16(7-5-15)20(24-10-2-3-11-24)14-23-13-17-8-9-18(21)12-19(17)22/h4-9,12,20,23H,2-3,10-11,13-14H2,1H3
InChIKeyFINXJTJKHZBPRM-UHFFFAOYSA-N
XLogP5.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
2-(2,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17422607
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378412
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
CID 114168462
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine (CID 110826713) is N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(CNCc2ccc(Cl)cc2Cl)N2CCCC2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is FINXJTJKHZBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c1-15-4-6-16(7-5-15)20(24-10-2-3-11-24)14-23-13-17-8-9-18(21)12-19(17)22/h4-9,12,20,23H,2-3,10-11,13-14H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 363.33 g/mol, XLogP of 5.23, 6 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]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 110826713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).