(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine

C15H24N2O — CID 112737230

IUPAC(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCC1OCCC1CNC[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12-14(7-8-18-12)10-17-11-15(16)9-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14?,15-/m1/s1
InChIKeyQCYALPYYOVACCC-PESDSKBTSA-N
MW248.37 g/mol
LogP1.57
Rot. Bonds6

About (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine

(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine (PubChem CID 112737230) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine
PubChem CID112737230
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCC1OCCC1CNC[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12-14(7-8-18-12)10-17-11-15(16)9-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14?,15-/m1/s1
InChIKeyQCYALPYYOVACCC-PESDSKBTSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 54262187
3-(1-chloro-2-phenylethyl)-2-methyloxolane
CID 79762751
2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 82728421
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
CID 114106337
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine (CID 112737230) is (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine is CC1OCCC1CNC[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine?
The InChIKey is QCYALPYYOVACCC-PESDSKBTSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-14(7-8-18-12)10-17-11-15(16)9-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14?,15-/m1/s1.
What are the key properties of (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine?
(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 112737230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).