3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine

C18H29NO — CID 104995268

IUPAC3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO/c1-4-12-19-18(11-10-15-8-9-15)16-6-5-7-17(13-16)20-14(2)3/h5-7,13-15,18-19H,4,8-12H2,1-3H3
InChIKeyANZVQTSWKUTFTM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds9

About 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine

3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine (PubChem CID 104995268) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
PubChem CID104995268
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H29NO/c1-4-12-19-18(11-10-15-8-9-15)16-6-5-7-17(13-16)20-14(2)3/h5-7,13-15,18-19H,4,8-12H2,1-3H3
InChIKeyANZVQTSWKUTFTM-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995282
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine (CID 104995268) is 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine is CCCNC(CCC1CC1)c1cccc(OC(C)C)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine?
The InChIKey is ANZVQTSWKUTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-12-19-18(11-10-15-8-9-15)16-6-5-7-17(13-16)20-14(2)3/h5-7,13-15,18-19H,4,8-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine?
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 104995268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).