3,3-dimethyl-4-phenoxybutan-1-amine

C12H19NO — CID 115019571

IUPAC3,3-dimethyl-4-phenoxybutan-1-amine
SMILESCC(C)(CCN)COc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,8-9-13)10-14-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyDHPWWEARYBXLID-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds5

About 3,3-dimethyl-4-phenoxybutan-1-amine

3,3-dimethyl-4-phenoxybutan-1-amine (PubChem CID 115019571) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-phenoxybutan-1-amine
PubChem CID115019571
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3,3-dimethyl-4-phenoxybutan-1-amine
SMILESCC(C)(CCN)COc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,8-9-13)10-14-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyDHPWWEARYBXLID-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
2,2-difluoropropoxybenzene
CID 10997493
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
3,3-dimethyl-4-phenylsulfanylbutan-1-amine
CID 115026624
ethyl 2-chloro-2-methyl-3-phenoxypropanoate
CID 23615645

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenoxybutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-phenoxybutan-1-amine (CID 115019571) is 3,3-dimethyl-4-phenoxybutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-phenoxybutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-phenoxybutan-1-amine is CC(C)(CCN)COc1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-phenoxybutan-1-amine?
The InChIKey is DHPWWEARYBXLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,8-9-13)10-14-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-phenoxybutan-1-amine?
3,3-dimethyl-4-phenoxybutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 115019571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).