2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine

C18H24N2 — CID 115132029

IUPAC2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(C)(C)CN
InChIInChI=1S/C18H24N2/c1-18(2,14-19)20(3)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,13-14,19H2,1-3H3
InChIKeyQERNMIUNKGMRDF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.52
Rot. Bonds5

About 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine

2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine (PubChem CID 115132029) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
PubChem CID115132029
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(C)(C)CN
InChIInChI=1S/C18H24N2/c1-18(2,14-19)20(3)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,13-14,19H2,1-3H3
InChIKeyQERNMIUNKGMRDF-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115132013
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 28759320
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
CID 115202433
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine (CID 115132029) is 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine is CN(Cc1ccc(-c2ccccc2)cc1)C(C)(C)CN.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine?
The InChIKey is QERNMIUNKGMRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,14-19)20(3)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,13-14,19H2,1-3H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115132029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).