1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine

C17H27NO — CID 114603922

IUPAC1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C(C)OC
InChIInChI=1S/C17H27NO/c1-4-12-18-17(13(2)19-3)16-11-6-5-10-15(16)14-8-7-9-14/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3
InChIKeyQOLYYCXSSVIJRX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds7

About 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine

1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine (PubChem CID 114603922) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
PubChem CID114603922
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C(C)OC
InChIInChI=1S/C17H27NO/c1-4-12-18-17(13(2)19-3)16-11-6-5-10-15(16)14-8-7-9-14/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3
InChIKeyQOLYYCXSSVIJRX-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
CID 114603918
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169
2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
CID 79983003
[1-(2-cyclobutylphenyl)-2-propylpentyl]hydrazine
CID 105341336
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
CID 114602355

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine (CID 114603922) is 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine is CCCNC(c1ccccc1C1CCC1)C(C)OC.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine?
The InChIKey is QOLYYCXSSVIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-12-18-17(13(2)19-3)16-11-6-5-10-15(16)14-8-7-9-14/h5-6,10-11,13-14,17-18H,4,7-9,12H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine?
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 114603922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).