N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine

C16H27NO2 — CID 115897809

IUPACN-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1c(C)cccc1C
InChIInChI=1S/C16H27NO2/c1-14-7-6-8-15(2)16(14)13-17-9-4-5-10-19-12-11-18-3/h6-8,17H,4-5,9-13H2,1-3H3
InChIKeyUDVQUMNIUMUQQD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.84
Rot. Bonds10

About N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine

N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 115897809) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
PubChem CID115897809
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1c(C)cccc1C
InChIInChI=1S/C16H27NO2/c1-14-7-6-8-15(2)16(14)13-17-9-4-5-10-19-12-11-18-3/h6-8,17H,4-5,9-13H2,1-3H3
InChIKeyUDVQUMNIUMUQQD-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115600224
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
4-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]butan-1-amine
CID 115600167
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine (CID 115897809) is N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine is COCCOCCCCNCc1c(C)cccc1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is UDVQUMNIUMUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14-7-6-8-15(2)16(14)13-17-9-4-5-10-19-12-11-18-3/h6-8,17H,4-5,9-13H2,1-3H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 115897809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).