N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine

C16H24Cl2N2 — CID 11623824

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCNC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)9-20(10-13-5-6-19-8-13)11-14-3-4-15(17)7-16(14)18/h3-4,7,12-13,19H,5-6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyZGWFQBBCTLSLKF-CYBMUJFWSA-N
MW315.29 g/mol
LogP4.06
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine

N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 11623824) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID11623824
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCNC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)9-20(10-13-5-6-19-8-13)11-14-3-4-15(17)7-16(14)18/h3-4,7,12-13,19H,5-6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyZGWFQBBCTLSLKF-CYBMUJFWSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-[(2,4-difluorophenyl)methyl]-2-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]propan-1-amine
CID 11536482
N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55002707
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605404
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-[(2,4-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]-8-oxabicyclo[3.2.1]octan-3-amine;2,3-dihydroxybutanedioic acid
CID 173128465
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605640

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine (CID 11623824) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine is CC(C)CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is ZGWFQBBCTLSLKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-12(2)9-20(10-13-5-6-19-8-13)11-14-3-4-15(17)7-16(14)18/h3-4,7,12-13,19H,5-6,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.06, 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-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 11623824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).