N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine

C19H33NO — CID 177295923

IUPACN-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESC[C@@H](CNC(C)(C)C)Oc1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15(14-20-19(5,6)7)21-17-10-8-16(9-11-17)12-13-18(2,3)4/h8-11,15,20H,12-14H2,1-7H3/t15-/m0/s1
InChIKeyNIFHJJXIKIPWQN-HNNXBMFYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds6

About N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine

N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 177295923) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
PubChem CID177295923
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESC[C@@H](CNC(C)(C)C)Oc1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-15(14-20-19(5,6)7)21-17-10-8-16(9-11-17)12-13-18(2,3)4/h8-11,15,20H,12-14H2,1-7H3/t15-/m0/s1
InChIKeyNIFHJJXIKIPWQN-HNNXBMFYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
(2S)-N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenyl]-2-methylpropan-1-amine
CID 177124154
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
CID 171834483
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
CID 64727839

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine (CID 177295923) is N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine is C[C@@H](CNC(C)(C)C)Oc1ccc(CCC(C)(C)C)cc1.
What is the InChIKey of N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is NIFHJJXIKIPWQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(14-20-19(5,6)7)21-17-10-8-16(9-11-17)12-13-18(2,3)4/h8-11,15,20H,12-14H2,1-7H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine?
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 177295923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).