N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine

C14H22N2O — CID 131045396

IUPACN-(4-phenylmethoxybutan-2-yl)azetidin-3-amine
SMILESCC(CCOCc1ccccc1)NC1CNC1
InChIInChI=1S/C14H22N2O/c1-12(16-14-9-15-10-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyNFLPVNABNONKQJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.54
Rot. Bonds7

About N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine

N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine (PubChem CID 131045396) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxybutan-2-yl)azetidin-3-amine
PubChem CID131045396
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-phenylmethoxybutan-2-yl)azetidin-3-amine
SMILESCC(CCOCc1ccccc1)NC1CNC1
InChIInChI=1S/C14H22N2O/c1-12(16-14-9-15-10-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyNFLPVNABNONKQJ-UHFFFAOYSA-N
XLogP1.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
4-phenylmethoxy-N-prop-2-enylbutan-2-amine
CID 130948211
1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 131141450
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
4-(2-phenylmethoxyethylsulfanyl)butan-2-amine
CID 130536966
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-phenylmethoxyethanone
CID 120656792
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
3-(phenylmethoxymethoxy)azetidine
CID 106938173

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine?
The IUPAC name of N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine (CID 131045396) is N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine.
What is the SMILES notation for N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine?
The canonical SMILES for N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine is CC(CCOCc1ccccc1)NC1CNC1.
What is the InChIKey of N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine?
The InChIKey is NFLPVNABNONKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(16-14-9-15-10-14)7-8-17-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3.
What are the key properties of N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine?
N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine is sourced from PubChem (CID 131045396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).