2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine

C16H25NO — CID 106200514

IUPAC2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
SMILESCCC(OCCC1CC1)C(NC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-15(18-12-11-13-9-10-13)16(17-2)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyYSGMPVMWMSXODU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds8

About 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine

2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine (PubChem CID 106200514) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
PubChem CID106200514
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
SMILESCCC(OCCC1CC1)C(NC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-15(18-12-11-13-9-10-13)16(17-2)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyYSGMPVMWMSXODU-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
CID 106200702
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
CID 103177181
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 106200667
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
CID 54362635
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
CID 112587403
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine (CID 106200514) is 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine is CCC(OCCC1CC1)C(NC)c1ccccc1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine?
The InChIKey is YSGMPVMWMSXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-15(18-12-11-13-9-10-13)16(17-2)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3.
What are the key properties of 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine?
2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 106200514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).