ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine

C19H35N — CID 143183625

IUPACethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
SMILESCC.CC(C)(C)CC(c1ccc(CN)cc1)C(C)(C)C
InChIInChI=1S/C17H29N.C2H6/c1-16(2,3)11-15(17(4,5)6)14-9-7-13(12-18)8-10-14;1-2/h7-10,15H,11-12,18H2,1-6H3;1-2H3
InChIKeyTYAJMHCUQPOKCO-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.74
Rot. Bonds3

About ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine

ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine (PubChem CID 143183625) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
PubChem CID143183625
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Nameethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
SMILESCC.CC(C)(C)CC(c1ccc(CN)cc1)C(C)(C)C
InChIInChI=1S/C17H29N.C2H6/c1-16(2,3)11-15(17(4,5)6)14-9-7-13(12-18)8-10-14;1-2/h7-10,15H,11-12,18H2,1-6H3;1-2H3
InChIKeyTYAJMHCUQPOKCO-UHFFFAOYSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
CID 146530606
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
N'-(3-aminopropyl)-N'-[3-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]ethylamino]propyl]propane-1,3-diamine
CID 143421559
1-[4-(aminomethyl)phenyl]-2,2-dimethylpropane-1-thiol
CID 87915713
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
1-(bromomethyl)-4-(2,2,5,5,6,6,7,7-octamethyloctan-4-yl)benzene;ethane
CID 153349722
[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008
[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
CID 126723379

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine?
The IUPAC name of ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine (CID 143183625) is ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine.
What is the SMILES notation for ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine?
The canonical SMILES for ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine is CC.CC(C)(C)CC(c1ccc(CN)cc1)C(C)(C)C.
What is the InChIKey of ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine?
The InChIKey is TYAJMHCUQPOKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.C2H6/c1-16(2,3)11-15(17(4,5)6)14-9-7-13(12-18)8-10-14;1-2/h7-10,15H,11-12,18H2,1-6H3;1-2H3.
What are the key properties of ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine?
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine has a molecular weight of 277.50 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine is sourced from PubChem (CID 143183625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).