2,2-dimethyl-1-phenylbutane-1,4-diamine

C12H20N2 — CID 116934434

IUPAC2,2-dimethyl-1-phenylbutane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,8-9-13)11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,13-14H2,1-2H3
InChIKeyDTSWAZARSAPUQN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.06
Rot. Bonds4

About 2,2-dimethyl-1-phenylbutane-1,4-diamine

2,2-dimethyl-1-phenylbutane-1,4-diamine (PubChem CID 116934434) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenylbutane-1,4-diamine
PubChem CID116934434
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,2-dimethyl-1-phenylbutane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-12(2,8-9-13)11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,13-14H2,1-2H3
InChIKeyDTSWAZARSAPUQN-UHFFFAOYSA-N
XLogP2.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934538
2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116934511
3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
CID 121314723
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
CID 59975349
1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934449
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
2,2-dimethyl-N',N'-bis(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 63493468
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
CID 106674147
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 55163332

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenylbutane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-1-phenylbutane-1,4-diamine (CID 116934434) is 2,2-dimethyl-1-phenylbutane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-1-phenylbutane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-1-phenylbutane-1,4-diamine is CC(C)(CCN)C(N)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-phenylbutane-1,4-diamine?
The InChIKey is DTSWAZARSAPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,8-9-13)11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,13-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-phenylbutane-1,4-diamine?
2,2-dimethyl-1-phenylbutane-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 116934434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).