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

C14H23ClN2 — CID 55056456

IUPACN-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
SMILESCNCC(C)(C)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-14(2,10-16-3)11-17(4)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11H2,1-4H3
InChIKeyFHNPMNNGFMQNOH-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.02
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 55056456) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
PubChem CID55056456
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
SMILESCNCC(C)(C)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-14(2,10-16-3)11-17(4)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11H2,1-4H3
InChIKeyFHNPMNNGFMQNOH-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62272453
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine (CID 55056456) is N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine is CNCC(C)(C)CN(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is FHNPMNNGFMQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-14(2,10-16-3)11-17(4)9-12-7-5-6-8-13(12)15/h5-8,16H,9-11H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine?
N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 55056456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).