1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine

C17H27NO — CID 114604710

IUPAC1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H27NO/c1-4-7-16(19-3)17(18-2)15-11-6-10-14(12-15)13-8-5-9-13/h6,10-13,16-18H,4-5,7-9H2,1-3H3
InChIKeyPCRLGVZUSBNLHN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine

1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine (PubChem CID 114604710) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
PubChem CID114604710
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H27NO/c1-4-7-16(19-3)17(18-2)15-11-6-10-14(12-15)13-8-5-9-13/h6,10-13,16-18H,4-5,7-9H2,1-3H3
InChIKeyPCRLGVZUSBNLHN-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-(3-cyclobutylphenyl)-2-methoxypentyl]hydrazine
CID 105271668
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715464
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 114604846
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine (CID 114604710) is 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine?
The InChIKey is PCRLGVZUSBNLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-16(19-3)17(18-2)15-11-6-10-14(12-15)13-8-5-9-13/h6,10-13,16-18H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine?
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-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-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 114604710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).