N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine

C18H29NO2 — CID 114621097

IUPACN-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)19-12-14-8-7-9-15(10-14)20-16-11-17(3,4)21-18(16,5)6/h7-10,13,16,19H,11-12H2,1-6H3
InChIKeyDQKYODCWMOLMFX-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.91
Rot. Bonds5

About N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine

N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 114621097) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID114621097
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)19-12-14-8-7-9-15(10-14)20-16-11-17(3,4)21-18(16,5)6/h7-10,13,16,19H,11-12H2,1-6H3
InChIKeyDQKYODCWMOLMFX-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine (CID 114621097) is N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OC2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is DQKYODCWMOLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)19-12-14-8-7-9-15(10-14)20-16-11-17(3,4)21-18(16,5)6/h7-10,13,16,19H,11-12H2,1-6H3.
What are the key properties of N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine?
N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 114621097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).