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

C17H26Cl2N2 — CID 61209100

IUPAC1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-4-17(15-6-5-14(18)9-16(15)19)20-10-13-7-8-21(11-13)12(2)3/h5-6,9,12-13,17,20H,4,7-8,10-11H2,1-3H3
InChIKeyITMUUJCBAKLVLD-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.76
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 61209100) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID61209100
Molecular FormulaC17H26Cl2N2
Molecular Weight329.32 g/mol
Exact Mass328.15
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-4-17(15-6-5-14(18)9-16(15)19)20-10-13-7-8-21(11-13)12(2)3/h5-6,9,12-13,17,20H,4,7-8,10-11H2,1-3H3
InChIKeyITMUUJCBAKLVLD-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
CID 54907161

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 61209100) is 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCC(NCC1CCN(C(C)C)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is ITMUUJCBAKLVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-4-17(15-6-5-14(18)9-16(15)19)20-10-13-7-8-21(11-13)12(2)3/h5-6,9,12-13,17,20H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 329.32 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 61209100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).