N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

C15H22Cl2N2 — CID 62581616

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-2-8-18-10-12-5-4-9-19(12)11-13-14(16)6-3-7-15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3
InChIKeyIUIKHSJTZZJLMD-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds6

About N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 62581616) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID62581616
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-2-8-18-10-12-5-4-9-19(12)11-13-14(16)6-3-7-15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3
InChIKeyIUIKHSJTZZJLMD-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62580726
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 62581616) is N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is IUIKHSJTZZJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-8-18-10-12-5-4-9-19(12)11-13-14(16)6-3-7-15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62581616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).