N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine

C16H25NO3 — CID 2430853

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
SMILESCC(C)Oc1ccccc1OCCNC[C@H]1CCCO1
InChIInChI=1S/C16H25NO3/c1-13(2)20-16-8-4-3-7-15(16)19-11-9-17-12-14-6-5-10-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyILQNOGAVCPZUKC-CQSZACIVSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine

N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine (PubChem CID 2430853) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
PubChem CID2430853
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
SMILESCC(C)Oc1ccccc1OCCNC[C@H]1CCCO1
InChIInChI=1S/C16H25NO3/c1-13(2)20-16-8-4-3-7-15(16)19-11-9-17-12-14-6-5-10-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyILQNOGAVCPZUKC-CQSZACIVSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
2-(4-bromo-2-propan-2-ylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7394850
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62571024
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine (CID 2430853) is N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine is CC(C)Oc1ccccc1OCCNC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine?
The InChIKey is ILQNOGAVCPZUKC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)20-16-8-4-3-7-15(16)19-11-9-17-12-14-6-5-10-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine?
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine is sourced from PubChem (CID 2430853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).