N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine

C14H20N2 — CID 145360708

IUPACN-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NC(C)c1ccc(C2CNC2)cc1
InChIInChI=1S/C14H20N2/c1-10(2)16-11(3)12-4-6-13(7-5-12)14-8-15-9-14/h4-7,11,14-16H,1,8-9H2,2-3H3
InChIKeyGSCLQLASAVAAKY-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.56
Rot. Bonds4

About N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine

N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine (PubChem CID 145360708) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine
PubChem CID145360708
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)NC(C)c1ccc(C2CNC2)cc1
InChIInChI=1S/C14H20N2/c1-10(2)16-11(3)12-4-6-13(7-5-12)14-8-15-9-14/h4-7,11,14-16H,1,8-9H2,2-3H3
InChIKeyGSCLQLASAVAAKY-UHFFFAOYSA-N
XLogP2.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-alpha-methylbenzenemethanamine
CID 21518
1-(4-Isopropylphenyl)ethanamine
CID 3728039
N-methyl-3-methylidene-1-phenylpent-4-en-1-amine
CID 3241028
1-(Diphenylmethyl)-N-methylazetidin-3-amine
CID 50319
N-Ethyl-alpha-methylbenzenemethanamine
CID 24979
1-((4-(Propan-2-yl)phenyl)methyl)piperazine
CID 2574844
N-(4-isopropylbenzyl)cyclopropanamine
CID 4723387
2-(4-Methylphenyl)pyrrolidine
CID 3563134
2-Phenylazetidine
CID 568971
(S)-N-allyl-alpha-methylbenzylamine
CID 10899069
[(2S)-2-(4-isobutylphenyl)propyl]-[(1R,2R)-2-methyl-1-[[[(1S)-2-methyl-1-(methylaminomethyl)propyl]amino]methyl]butyl]amine
CID 24793499
N-[[4-[4-[(pentylamino)methyl]phenyl]phenyl]methyl]pentan-1-amine
CID 44414433

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine?
The IUPAC name of N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine (CID 145360708) is N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine is C=C(C)NC(C)c1ccc(C2CNC2)cc1.
What is the InChIKey of N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine?
The InChIKey is GSCLQLASAVAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)16-11(3)12-4-6-13(7-5-12)14-8-15-9-14/h4-7,11,14-16H,1,8-9H2,2-3H3.
What are the key properties of N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine?
N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 145360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).