4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

C16H27NO2 — CID 54896409

IUPAC4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1cccc(CNC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-7-6-8-15(9-14)12-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyBGHLAMQXXBLHHQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds8

About 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (PubChem CID 54896409) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
PubChem CID54896409
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1cccc(CNC(C)CC(C)(C)OC)c1
InChIInChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-7-6-8-15(9-14)12-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyBGHLAMQXXBLHHQ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 62456237
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The IUPAC name of 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (CID 54896409) is 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The canonical SMILES for 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is COCc1cccc(CNC(C)CC(C)(C)OC)c1.
What is the InChIKey of 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The InChIKey is BGHLAMQXXBLHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-7-6-8-15(9-14)12-18-4/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 54896409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).