2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine

C18H31NO — CID 79421903

IUPAC2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
SMILESCc1ccccc1C(CCOC(C)C)CNCC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)12-19-13-17(10-11-20-15(3)4)18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyNNKNESYAZYIMGF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds9

About 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine

2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine (PubChem CID 79421903) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
PubChem CID79421903
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
SMILESCc1ccccc1C(CCOC(C)C)CNCC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)12-19-13-17(10-11-20-15(3)4)18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyNNKNESYAZYIMGF-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine (CID 79421903) is 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine is Cc1ccccc1C(CCOC(C)C)CNCC(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The InChIKey is NNKNESYAZYIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)12-19-13-17(10-11-20-15(3)4)18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3.
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 79421903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).