2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine

C18H22N2 — CID 23223452

IUPAC2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine
SMILESNCCc1cccc(C(c2ccccc2)N2CCC2)c1
InChIInChI=1S/C18H22N2/c19-11-10-15-6-4-9-17(14-15)18(20-12-5-13-20)16-7-2-1-3-8-16/h1-4,6-9,14,18H,5,10-13,19H2
InChIKeyPPWCGKLNMHQBLU-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.98
Rot. Bonds5

About 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine

2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine (PubChem CID 23223452) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine
PubChem CID23223452
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine
SMILESNCCc1cccc(C(c2ccccc2)N2CCC2)c1
InChIInChI=1S/C18H22N2/c19-11-10-15-6-4-9-17(14-15)18(20-12-5-13-20)16-7-2-1-3-8-16/h1-4,6-9,14,18H,5,10-13,19H2
InChIKeyPPWCGKLNMHQBLU-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
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1-benzhydrylpiperidin-4-amine;cyclobutane
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1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
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1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
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2-[3-[[4-(benzenesulfinyl)piperazin-1-yl]-phenylmethyl]phenyl]acetic acid
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1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855

Frequently Asked Questions

What is the IUPAC name of 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine (CID 23223452) is 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine is NCCc1cccc(C(c2ccccc2)N2CCC2)c1.
What is the InChIKey of 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine?
The InChIKey is PPWCGKLNMHQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-11-10-15-6-4-9-17(14-15)18(20-12-5-13-20)16-7-2-1-3-8-16/h1-4,6-9,14,18H,5,10-13,19H2.
What are the key properties of 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine?
2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[azetidin-1-yl(phenyl)methyl]phenyl]ethanamine is sourced from PubChem (CID 23223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).