N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine

C15H21NO — CID 125485962

IUPACN-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C[C@H](NC2CC2)[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-12(6-3-1)11-14(16-13-8-9-13)15-7-4-10-17-15/h1-3,5-6,13-16H,4,7-11H2/t14-,15-/m0/s1
InChIKeyONQCPRBMDRMGIG-GJZGRUSLSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds5

About N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine

N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine (PubChem CID 125485962) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
PubChem CID125485962
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C[C@H](NC2CC2)[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-12(6-3-1)11-14(16-13-8-9-13)15-7-4-10-17-15/h1-3,5-6,13-16H,4,7-11H2/t14-,15-/m0/s1
InChIKeyONQCPRBMDRMGIG-GJZGRUSLSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-1-(oxolan-2-yl)-2-phenylethanamine
CID 139022406
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 115896540
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
N-[1-(oxolan-2-yl)propyl]cycloheptanamine
CID 115896557
(2R)-2-(1-bromo-3-phenylpropyl)oxolane
CID 139247608

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine (CID 125485962) is N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine is c1ccc(C[C@H](NC2CC2)[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine?
The InChIKey is ONQCPRBMDRMGIG-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-5-12(6-3-1)11-14(16-13-8-9-13)15-7-4-10-17-15/h1-3,5-6,13-16H,4,7-11H2/t14-,15-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine?
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 125485962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).