1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine

C15H23NO — CID 105051843

IUPAC1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO/c1-4-15(2,3)14(16)11-6-5-7-13(10-11)17-12-8-9-12/h5-7,10,12,14H,4,8-9,16H2,1-3H3
InChIKeyOGAVTUBQOSBSEP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine

1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 105051843) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
PubChem CID105051843
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO/c1-4-15(2,3)14(16)11-6-5-7-13(10-11)17-12-8-9-12/h5-7,10,12,14H,4,8-9,16H2,1-3H3
InChIKeyOGAVTUBQOSBSEP-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
CID 114522245
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 114522301
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
CID 114522678

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine (CID 105051843) is 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is OGAVTUBQOSBSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-15(2,3)14(16)11-6-5-7-13(10-11)17-12-8-9-12/h5-7,10,12,14H,4,8-9,16H2,1-3H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine?
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105051843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).