4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine

C16H27NO — CID 114211571

IUPAC4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCC(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(2)18-15-9-7-6-8-13(15)14(17)10-11-16(3,4)5/h6-9,12,14H,10-11,17H2,1-5H3
InChIKeyQOFXRPUVOLESHO-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.30
Rot. Bonds5

About 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine

4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 114211571) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID114211571
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCC(C)(C)C
InChIInChI=1S/C16H27NO/c1-12(2)18-15-9-7-6-8-13(15)14(17)10-11-16(3,4)5/h6-9,12,14H,10-11,17H2,1-5H3
InChIKeyQOFXRPUVOLESHO-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine (CID 114211571) is 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine is CC(C)Oc1ccccc1C(N)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is QOFXRPUVOLESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)18-15-9-7-6-8-13(15)14(17)10-11-16(3,4)5/h6-9,12,14H,10-11,17H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 114211571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).