4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol

C18H31NO2 — CID 103784440

IUPAC4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
SMILESCC(C)Oc1ccc(C(C)NCC(O)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-13(2)21-17-9-7-15(8-10-17)14(3)19-12-16(20)11-18(4,5)6/h7-10,13-14,16,19-20H,11-12H2,1-6H3
InChIKeyFKOPYUJBSBCSJK-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.92
Rot. Bonds7

About 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol

4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol (PubChem CID 103784440) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
PubChem CID103784440
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
SMILESCC(C)Oc1ccc(C(C)NCC(O)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-13(2)21-17-9-7-15(8-10-17)14(3)19-12-16(20)11-18(4,5)6/h7-10,13-14,16,19-20H,11-12H2,1-6H3
InChIKeyFKOPYUJBSBCSJK-UHFFFAOYSA-N
XLogP3.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
CID 107441417
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol (CID 103784440) is 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol is CC(C)Oc1ccc(C(C)NCC(O)CC(C)(C)C)cc1.
What is the InChIKey of 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol?
The InChIKey is FKOPYUJBSBCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(2)21-17-9-7-15(8-10-17)14(3)19-12-16(20)11-18(4,5)6/h7-10,13-14,16,19-20H,11-12H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103784440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).