N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C16H27NO — CID 112591568

IUPACN-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCNCC(CCOC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)14(12-17-5)10-11-18-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3
InChIKeyKOMAQZYQQYYCIP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.50
Rot. Bonds6

About N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 112591568) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID112591568
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCNCC(CCOC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)14(12-17-5)10-11-18-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3
InChIKeyKOMAQZYQQYYCIP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 112591568) is N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CNCC(CCOC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is KOMAQZYQQYYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)14(12-17-5)10-11-18-16(2,3)4/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 112591568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).