3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine

C19H25NO — CID 107876087

IUPAC3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(17-9-5-3-6-10-17)15-20-13-14-21-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3
InChIKeyKZBHUZRPOJGAHL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.09
Rot. Bonds8

About 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine

3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine (PubChem CID 107876087) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
PubChem CID107876087
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(17-9-5-3-6-10-17)15-20-13-14-21-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3
InChIKeyKZBHUZRPOJGAHL-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.09
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

2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
CID 107876364
1-(2-phenoxyethylamino)propane-2-thiol;hydrochloride
CID 24843389
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine (CID 107876087) is 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine is CC(C)C(CNCCOc1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine?
The InChIKey is KZBHUZRPOJGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)19(17-9-5-3-6-10-17)15-20-13-14-21-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3.
What are the key properties of 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine?
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 107876087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).