2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine

C19H31NO — CID 106200667

IUPAC2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(OCCC1CC1)C(C)C
InChIInChI=1S/C19H31NO/c1-4-13-20-18(17-8-6-5-7-9-17)19(15(2)3)21-14-12-16-10-11-16/h5-9,15-16,18-20H,4,10-14H2,1-3H3
InChIKeyNSLRMNQXQFAFKH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds10

About 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine

2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 106200667) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
PubChem CID106200667
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(OCCC1CC1)C(C)C
InChIInChI=1S/C19H31NO/c1-4-13-20-18(17-8-6-5-7-9-17)19(15(2)3)21-14-12-16-10-11-16/h5-9,15-16,18-20H,4,10-14H2,1-3H3
InChIKeyNSLRMNQXQFAFKH-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine (CID 106200667) is 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(OCCC1CC1)C(C)C.
What is the InChIKey of 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is NSLRMNQXQFAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-18(17-8-6-5-7-9-17)19(15(2)3)21-14-12-16-10-11-16/h5-9,15-16,18-20H,4,10-14H2,1-3H3.
What are the key properties of 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine?
2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 106200667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).