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

C14H23ClN2 — CID 65232580

IUPACN'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-3-5-13(9-16)11-17(2)10-12-6-4-7-14(15)8-12/h4,6-8,13H,3,5,9-11,16H2,1-2H3
InChIKeyGEIBAGNDYRLSLO-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.15
Rot. Bonds7

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

N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine (PubChem CID 65232580) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
PubChem CID65232580
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-3-5-13(9-16)11-17(2)10-12-6-4-7-14(15)8-12/h4,6-8,13H,3,5,9-11,16H2,1-2H3
InChIKeyGEIBAGNDYRLSLO-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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Related Compounds

N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232695
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
1-N-[(3-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61417455
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
CID 78994299
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62431023
1-N-[(3-chlorophenyl)methyl]-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79812657
2-bromo-N-[(3-chlorophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690565
3-[(3-chlorophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 61417021

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine (CID 65232580) is N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine is CCCC(CN)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
The InChIKey is GEIBAGNDYRLSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-3-5-13(9-16)11-17(2)10-12-6-4-7-14(15)8-12/h4,6-8,13H,3,5,9-11,16H2,1-2H3.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine?
N'-[(3-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'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65232580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).