N-(1-phenylpropyl)oxetan-3-amine

C12H17NO — CID 63624948

IUPACN-(1-phenylpropyl)oxetan-3-amine
SMILESCCC(NC1COC1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-12(13-11-8-14-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyOFCKINZZIDAEOF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds4

About N-(1-phenylpropyl)oxetan-3-amine

N-(1-phenylpropyl)oxetan-3-amine (PubChem CID 63624948) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-phenylpropyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)oxetan-3-amine
PubChem CID63624948
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-phenylpropyl)oxetan-3-amine
SMILESCCC(NC1COC1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-12(13-11-8-14-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyOFCKINZZIDAEOF-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
CID 63335747
N-(2-methoxy-1-phenylethyl)oxolan-3-amine
CID 115889939
5,5-dimethyl-N-(1-phenylpropyl)thian-3-amine
CID 79958398
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
2-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)oxetan-3-amine?
The IUPAC name of N-(1-phenylpropyl)oxetan-3-amine (CID 63624948) is N-(1-phenylpropyl)oxetan-3-amine.
What is the SMILES notation for N-(1-phenylpropyl)oxetan-3-amine?
The canonical SMILES for N-(1-phenylpropyl)oxetan-3-amine is CCC(NC1COC1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)oxetan-3-amine?
The InChIKey is OFCKINZZIDAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-12(13-11-8-14-9-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3.
What are the key properties of N-(1-phenylpropyl)oxetan-3-amine?
N-(1-phenylpropyl)oxetan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)oxetan-3-amine is sourced from PubChem (CID 63624948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).