N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine

C19H23NO — CID 175425806

IUPACN-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)C1COC1c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(12-20-13-16-8-4-2-5-9-16)18-14-21-19(18)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3
InChIKeyGTXKEGPLDKOAPX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds6

About N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine

N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine (PubChem CID 175425806) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine
PubChem CID175425806
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)C1COC1c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(12-20-13-16-8-4-2-5-9-16)18-14-21-19(18)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3
InChIKeyGTXKEGPLDKOAPX-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(2-benzyloxetan-3-yl)propan-1-amine
CID 175425772
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-[(2S,3R)-2-phenyloxetan-3-yl]butan-1-ol
CID 101140305
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895
(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
CID 177481068
2-(chloromethyl)oxirane;N,N'-dibenzylethane-1,2-diamine;ethane
CID 90707718
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine?
The IUPAC name of N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine (CID 175425806) is N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine?
The canonical SMILES for N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine is CC(CNCc1ccccc1)C1COC1c1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine?
The InChIKey is GTXKEGPLDKOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(12-20-13-16-8-4-2-5-9-16)18-14-21-19(18)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3.
What are the key properties of N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine?
N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenyloxetan-3-yl)propan-1-amine is sourced from PubChem (CID 175425806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).