N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine

C17H27NO2 — CID 43276802

IUPACN-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-12(2)18-10-15-8-13(3)17(14(4)9-15)20-11-16-6-5-7-19-16/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyAKOIDRAVXLMTAC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.36
Rot. Bonds6

About N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 43276802) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID43276802
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-12(2)18-10-15-8-13(3)17(14(4)9-15)20-11-16-6-5-7-19-16/h8-9,12,16,18H,5-7,10-11H2,1-4H3
InChIKeyAKOIDRAVXLMTAC-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55077843
3,5-dimethyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 60725349
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60880056
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 43276802) is N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cc(C)c1OCC1CCCO1.
What is the InChIKey of N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is AKOIDRAVXLMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)18-10-15-8-13(3)17(14(4)9-15)20-11-16-6-5-7-19-16/h8-9,12,16,18H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43276802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).