N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine

C16H27NO — CID 103984387

IUPACN-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCOCC(CNC(C)(C)C)Cc1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-14(12-18-5)11-17-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3
InChIKeyQQCWYXXGMCSBNN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds6

About N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine

N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 103984387) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID103984387
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCOCC(CNC(C)(C)C)Cc1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-14(12-18-5)11-17-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3
InChIKeyQQCWYXXGMCSBNN-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-tert-butyl-2-[(2-methylphenyl)methyl]-4-propoxybutan-1-amine
CID 106456722
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-propoxybutan-1-amine
CID 106456746
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine (CID 103984387) is N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine is COCC(CNC(C)(C)C)Cc1ccccc1C.
What is the InChIKey of N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is QQCWYXXGMCSBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-14(12-18-5)11-17-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine?
N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103984387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).