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

C13H21ClN2 — CID 62411299

IUPACN-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyYLWMBOKFBNXUBX-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.63
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 62411299) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
PubChem CID62411299
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyYLWMBOKFBNXUBX-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
3-[(4-chlorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 60648042
N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915935
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232695
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (CID 62411299) is N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine is CNCC(C)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is YLWMBOKFBNXUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.63, 6 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,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62411299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).