N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine

C17H29NO — CID 79421011

IUPACN-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
SMILESCNCC(CCOCCC(C)C)c1ccccc1C
InChIInChI=1S/C17H29NO/c1-14(2)9-11-19-12-10-16(13-18-4)17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeySOJRIUALSHBLHM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.75
Rot. Bonds9

About N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine

N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine (PubChem CID 79421011) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
PubChem CID79421011
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
SMILESCNCC(CCOCCC(C)C)c1ccccc1C
InChIInChI=1S/C17H29NO/c1-14(2)9-11-19-12-10-16(13-18-4)17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeySOJRIUALSHBLHM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine?
The IUPAC name of N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine (CID 79421011) is N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine?
The canonical SMILES for N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine is CNCC(CCOCCC(C)C)c1ccccc1C.
What is the InChIKey of N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine?
The InChIKey is SOJRIUALSHBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)9-11-19-12-10-16(13-18-4)17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3.
What are the key properties of N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine?
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 79421011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).