[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine

C15H24N2 — CID 79686889

IUPAC[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine
SMILESCCC1(CC)CN(Cc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2/c1-3-15(4-2)11-17(12-15)10-14-7-5-6-13(8-14)9-16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyPUDIDFNUTVRWQB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.77
Rot. Bonds5

About [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine

[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine (PubChem CID 79686889) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine
PubChem CID79686889
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine
SMILESCCC1(CC)CN(Cc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2/c1-3-15(4-2)11-17(12-15)10-14-7-5-6-13(8-14)9-16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyPUDIDFNUTVRWQB-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,3-diethylazetidin-1-yl)methyl]benzonitrile
CID 79687926
4-[[3-(aminomethyl)phenyl]methyl]piperazine-2,6-dione
CID 66082913
1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
CID 172523024
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]methanamine
CID 84786236
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769

Frequently Asked Questions

What is the IUPAC name of [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine (CID 79686889) is [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine is CCC1(CC)CN(Cc2cccc(CN)c2)C1.
What is the InChIKey of [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is PUDIDFNUTVRWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15(4-2)11-17(12-15)10-14-7-5-6-13(8-14)9-16/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine?
[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 79686889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).