N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine

C19H31NO — CID 126654324

IUPACN-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine
SMILESC[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4/h8-13,15,20H,14H2,1-7H3/b12-11+/t15-/m1/s1
InChIKeyUTWWDVKECNYIQJ-AYJWMTRPSA-N
MW289.46 g/mol
LogP4.90
Rot. Bonds5

About N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine

N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 126654324) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine
PubChem CID126654324
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine
SMILESC[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4/h8-13,15,20H,14H2,1-7H3/b12-11+/t15-/m1/s1
InChIKeyUTWWDVKECNYIQJ-AYJWMTRPSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-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

N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 76946776
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine
CID 166997046
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 177295923
N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015863
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
CID 62484837

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine (CID 126654324) is N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine is C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.
What is the InChIKey of N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is UTWWDVKECNYIQJ-AYJWMTRPSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4/h8-13,15,20H,14H2,1-7H3/b12-11+/t15-/m1/s1.
What are the key properties of N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine?
N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 126654324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).