1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine

C16H24N2O — CID 95338826

IUPAC1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H24N2O/c1-13-4-2-3-5-14(13)10-17-11-16-12-18(8-9-19-16)15-6-7-15/h2-5,15-17H,6-12H2,1H3/t16-/m0/s1
InChIKeyPETYOSVXRBMJGS-INIZCTEOSA-N
MW260.38 g/mol
LogP1.95
Rot. Bonds5

About 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine

1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 95338826) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
PubChem CID95338826
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H24N2O/c1-13-4-2-3-5-14(13)10-17-11-16-12-18(8-9-19-16)15-6-7-15/h2-5,15-17H,6-12H2,1H3/t16-/m0/s1
InChIKeyPETYOSVXRBMJGS-INIZCTEOSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
CID 119124673
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine
CID 119124621
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxy-2-propoxyphenyl)methyl]methanamine
CID 119124588
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine (CID 95338826) is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNC[C@H]1CN(C2CC2)CCO1.
What is the InChIKey of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is PETYOSVXRBMJGS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-2-3-5-14(13)10-17-11-16-12-18(8-9-19-16)15-6-7-15/h2-5,15-17H,6-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine?
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 95338826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).