cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine

C14H21NO — CID 43198323

IUPACcyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)C2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-10-9-11-5-7-13(8-6-11)14(15)12-3-2-4-12/h5-8,12,14H,2-4,9-10,15H2,1H3
InChIKeyXVOACQPPXKMUOZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds5

About cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine

cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine (PubChem CID 43198323) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
PubChem CID43198323
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namecyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)C2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-10-9-11-5-7-13(8-6-11)14(15)12-3-2-4-12/h5-8,12,14H,2-4,9-10,15H2,1H3
InChIKeyXVOACQPPXKMUOZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 65018593
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
(1,1-dioxothiolan-3-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 64906183
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 104749060
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
CID 106826782

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine?
The IUPAC name of cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine (CID 43198323) is cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine.
What is the SMILES notation for cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine?
The canonical SMILES for cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine is COCCc1ccc(C(N)C2CCC2)cc1.
What is the InChIKey of cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine?
The InChIKey is XVOACQPPXKMUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-10-9-11-5-7-13(8-6-11)14(15)12-3-2-4-12/h5-8,12,14H,2-4,9-10,15H2,1H3.
What are the key properties of cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine?
cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine is sourced from PubChem (CID 43198323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).