N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine

C16H24N2O — CID 78957539

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
SMILESCC1(CNCc2ccc(N3CCCC3)cc2)COC1
InChIInChI=1S/C16H24N2O/c1-16(12-19-13-16)11-17-10-14-4-6-15(7-5-14)18-8-2-3-9-18/h4-7,17H,2-3,8-13H2,1H3
InChIKeyOMOJSRWBMFJKRF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine

N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 78957539) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
PubChem CID78957539
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
SMILESCC1(CNCc2ccc(N3CCCC3)cc2)COC1
InChIInChI=1S/C16H24N2O/c1-16(12-19-13-16)11-17-10-14-4-6-15(7-5-14)18-8-2-3-9-18/h4-7,17H,2-3,8-13H2,1H3
InChIKeyOMOJSRWBMFJKRF-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
CID 55684281
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 78957179
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine (CID 78957539) is N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine is CC1(CNCc2ccc(N3CCCC3)cc2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is OMOJSRWBMFJKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(12-19-13-16)11-17-10-14-4-6-15(7-5-14)18-8-2-3-9-18/h4-7,17H,2-3,8-13H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine?
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 78957539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).