N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine

C14H23NO — CID 82719997

IUPACN-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
SMILESCCCC(NOC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-5-9-13(15-16-14(2,3)4)12-10-7-6-8-11-12/h6-8,10-11,13,15H,5,9H2,1-4H3
InChIKeyABWMPKIWPBYYIP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.85
Rot. Bonds5

About N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine

N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine (PubChem CID 82719997) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
PubChem CID82719997
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
SMILESCCCC(NOC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-5-9-13(15-16-14(2,3)4)12-10-7-6-8-11-12/h6-8,10-11,13,15H,5,9H2,1-4H3
InChIKeyABWMPKIWPBYYIP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-methoxy-1-phenylhexan-1-amine
CID 82707077
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine (CID 82719997) is N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine is CCCC(NOC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine?
The InChIKey is ABWMPKIWPBYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9-13(15-16-14(2,3)4)12-10-7-6-8-11-12/h6-8,10-11,13,15H,5,9H2,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine?
N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine is sourced from PubChem (CID 82719997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).