1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine

C14H21NO — CID 65459309

IUPAC1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C14H21NO/c1-11(15)8-13-6-3-7-14(9-13)16-10-12-4-2-5-12/h3,6-7,9,11-12H,2,4-5,8,10,15H2,1H3
InChIKeyQOKIMCWNGKWKRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds5

About 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine

1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine (PubChem CID 65459309) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
PubChem CID65459309
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C14H21NO/c1-11(15)8-13-6-3-7-14(9-13)16-10-12-4-2-5-12/h3,6-7,9,11-12H,2,4-5,8,10,15H2,1H3
InChIKeyQOKIMCWNGKWKRU-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 18948834

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine (CID 65459309) is 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OCC2CCC2)c1.
What is the InChIKey of 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine?
The InChIKey is QOKIMCWNGKWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(15)8-13-6-3-7-14(9-13)16-10-12-4-2-5-12/h3,6-7,9,11-12H,2,4-5,8,10,15H2,1H3.
What are the key properties of 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine?
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 65459309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).