N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine

C15H25NO — CID 98014897

IUPACN-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)16-11-10-13-6-8-14(9-7-13)17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyKUVDOBNXZADELQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds5

About N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine

N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine (PubChem CID 98014897) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
PubChem CID98014897
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)16-11-10-13-6-8-14(9-7-13)17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyKUVDOBNXZADELQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
N-[2-[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 105348799
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
N-[2-[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349604
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine (CID 98014897) is N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine?
The InChIKey is KUVDOBNXZADELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16-11-10-13-6-8-14(9-7-13)17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine?
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 98014897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).