N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine

C14H23ClN2 — CID 65232695

IUPACN'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-3-4-13(9-16)11-17(2)10-12-5-7-14(15)8-6-12/h5-8,13H,3-4,9-11,16H2,1-2H3
InChIKeyFIUNYYKSISGBIX-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.15
Rot. Bonds7

About N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine

N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine (PubChem CID 65232695) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
PubChem CID65232695
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-3-4-13(9-16)11-17(2)10-12-5-7-14(15)8-6-12/h5-8,13H,3-4,9-11,16H2,1-2H3
InChIKeyFIUNYYKSISGBIX-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine (CID 65232695) is N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine is CCCC(CN)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The InChIKey is FIUNYYKSISGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-3-4-13(9-16)11-17(2)10-12-5-7-14(15)8-6-12/h5-8,13H,3-4,9-11,16H2,1-2H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65232695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).