1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine

C17H27NO — CID 115710215

IUPAC1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)CC1CCC1
InChIInChI=1S/C17H27NO/c1-13(11-15-7-6-8-15)18-14(2)12-16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyHHHNEIMUPJGEHZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds7

About 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine

1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine (PubChem CID 115710215) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
PubChem CID115710215
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)CC1CCC1
InChIInChI=1S/C17H27NO/c1-13(11-15-7-6-8-15)18-14(2)12-16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyHHHNEIMUPJGEHZ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine (CID 115710215) is 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine is COc1ccccc1CC(C)NC(C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine?
The InChIKey is HHHNEIMUPJGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(11-15-7-6-8-15)18-14(2)12-16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine?
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine is sourced from PubChem (CID 115710215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).