2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine

C17H27NO — CID 106200702

IUPAC2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(OCCC1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)17(19-12-11-14-9-10-14)16(18-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyRYYBNAYNSVZVIS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds8

About 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine

2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 106200702) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
PubChem CID106200702
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(OCCC1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)17(19-12-11-14-9-10-14)16(18-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyRYYBNAYNSVZVIS-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 106200667
2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
CID 106200514
2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
CID 63473474
4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
CID 54362635
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
2-methoxy-N,3-dimethyl-1-(4-phenylphenyl)butan-1-amine
CID 116720033
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
CID 112587403
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine (CID 106200702) is 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine is CNC(c1ccccc1)C(OCCC1CC1)C(C)C.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is RYYBNAYNSVZVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)17(19-12-11-14-9-10-14)16(18-3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3.
What are the key properties of 2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine?
2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 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,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 106200702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).