1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine

C15H25ClN2 — CID 62413585

IUPAC1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNC(C)(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-12(10-17-15(2,3)4)18(5)11-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3
InChIKeyZNFLSWBIRGKQOZ-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.55
Rot. Bonds5

About 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine

1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 62413585) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID62413585
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNC(C)(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-12(10-17-15(2,3)4)18(5)11-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3
InChIKeyZNFLSWBIRGKQOZ-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
CID 63521505
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55069085
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 62413585) is 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine is CC(CNC(C)(C)C)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is ZNFLSWBIRGKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(10-17-15(2,3)4)18(5)11-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine?
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62413585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).