1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine

C14H23NO — CID 82267544

IUPAC1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1cc(C)cc(C)c1OC(C)C
InChIInChI=1S/C14H23NO/c1-6-13(15)12-8-10(4)7-11(5)14(12)16-9(2)3/h7-9,13H,6,15H2,1-5H3
InChIKeyHYVINKBWBRNWLW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.50
Rot. Bonds4

About 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine

1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82267544) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82267544
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1cc(C)cc(C)c1OC(C)C
InChIInChI=1S/C14H23NO/c1-6-13(15)12-8-10(4)7-11(5)14(12)16-9(2)3/h7-9,13H,6,15H2,1-5H3
InChIKeyHYVINKBWBRNWLW-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
CID 83899736
N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
CID 82267547
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
3-amino-3-(2-ethoxy-3,5-dimethylphenyl)propanoic acid
CID 4023553
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 114160439

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine (CID 82267544) is 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine is CCC(N)c1cc(C)cc(C)c1OC(C)C.
What is the InChIKey of 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is HYVINKBWBRNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-13(15)12-8-10(4)7-11(5)14(12)16-9(2)3/h7-9,13H,6,15H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82267544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).