N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C16H25NO2 — CID 43694691

IUPACN-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCC2CCOC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-15(9-16)13(3)17-10-14-7-8-18-11-14/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3
InChIKeyBSOZQJVRXHWWIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 43694691) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID43694691
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NCC2CCOC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-15(9-16)13(3)17-10-14-7-8-18-11-14/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3
InChIKeyBSOZQJVRXHWWIX-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 43694691) is N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(C)NCC2CCOC2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BSOZQJVRXHWWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-16-6-4-5-15(9-16)13(3)17-10-14-7-8-18-11-14/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43694691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).