N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

C17H27NO — CID 64984134

IUPACN-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C1CCC1
InChIInChI=1S/C17H27NO/c1-4-10-18-16(14-6-5-7-14)12-15-11-13(2)8-9-17(15)19-3/h8-9,11,14,16,18H,4-7,10,12H2,1-3H3
InChIKeyARJUOKFTUBBGQP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds7

About N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 64984134) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
PubChem CID64984134
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C1CCC1
InChIInChI=1S/C17H27NO/c1-4-10-18-16(14-6-5-7-14)12-15-11-13(2)8-9-17(15)19-3/h8-9,11,14,16,18H,4-7,10,12H2,1-3H3
InChIKeyARJUOKFTUBBGQP-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (CID 64984134) is N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1OC)C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ARJUOKFTUBBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-18-16(14-6-5-7-14)12-15-11-13(2)8-9-17(15)19-3/h8-9,11,14,16,18H,4-7,10,12H2,1-3H3.
What are the key properties of N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64984134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).