1-(2-tert-butylphenoxy)propan-2-amine

C13H21NO — CID 16795188

IUPAC1-(2-tert-butylphenoxy)propan-2-amine
SMILESCC(N)COc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(14)9-15-12-8-6-5-7-11(12)13(2,3)4/h5-8,10H,9,14H2,1-4H3
InChIKeyQKFLLVIKMIILRX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-tert-butylphenoxy)propan-2-amine

1-(2-tert-butylphenoxy)propan-2-amine (PubChem CID 16795188) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-tert-butylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenoxy)propan-2-amine
PubChem CID16795188
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-tert-butylphenoxy)propan-2-amine
SMILESCC(N)COc1ccccc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(14)9-15-12-8-6-5-7-11(12)13(2,3)4/h5-8,10H,9,14H2,1-4H3
InChIKeyQKFLLVIKMIILRX-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
CID 112508268
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
CID 120989442
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine
CID 67800851
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenoxy)propan-2-amine?
The IUPAC name of 1-(2-tert-butylphenoxy)propan-2-amine (CID 16795188) is 1-(2-tert-butylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-tert-butylphenoxy)propan-2-amine?
The canonical SMILES for 1-(2-tert-butylphenoxy)propan-2-amine is CC(N)COc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenoxy)propan-2-amine?
The InChIKey is QKFLLVIKMIILRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14)9-15-12-8-6-5-7-11(12)13(2,3)4/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenoxy)propan-2-amine?
1-(2-tert-butylphenoxy)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenoxy)propan-2-amine is sourced from PubChem (CID 16795188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).