1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine

C14H23NO — CID 105101467

IUPAC1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCCc1ccc(CC(N)COC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)9-14(15)10-16-11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyOAUSYCMTSWYQLY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine

1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105101467) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID105101467
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCCc1ccc(CC(N)COC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)9-14(15)10-16-11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyOAUSYCMTSWYQLY-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
3-(4-ethylphenyl)propane-1,2-diamine
CID 151041648
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024928
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
CID 28802452
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine (CID 105101467) is 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine is CCc1ccc(CC(N)COC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is OAUSYCMTSWYQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)9-14(15)10-16-11(2)3/h5-8,11,14H,4,9-10,15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine?
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105101467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).