2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine

C18H31NO — CID 63487662

IUPAC2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-16(2,3)13-9-14(17(4,5)6)11-15(10-13)20-18(7,8)12-19/h9-11H,12,19H2,1-8H3
InChIKeyJTNGRNJKLAUVBL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.40
Rot. Bonds3

About 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine

2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine (PubChem CID 63487662) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
PubChem CID63487662
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-16(2,3)13-9-14(17(4,5)6)11-15(10-13)20-18(7,8)12-19/h9-11H,12,19H2,1-8H3
InChIKeyJTNGRNJKLAUVBL-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
CID 113408887
2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 62355629
2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
2-(3-chloro-4-fluorophenoxy)-2-methylpropan-1-amine
CID 63878843
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
CID 117053492
(3,5-ditert-butylphenoxy)phosphane
CID 59664555
2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
CID 116855593

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine (CID 63487662) is 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine is CC(C)(CN)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine?
The InChIKey is JTNGRNJKLAUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-16(2,3)13-9-14(17(4,5)6)11-15(10-13)20-18(7,8)12-19/h9-11H,12,19H2,1-8H3.
What are the key properties of 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine?
2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 63487662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).