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

C16H23FN2O — CID 124545907

IUPAC1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine
SMILESCc1cc(F)ccc1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H23FN2O/c1-12-8-14(17)3-2-13(12)9-18-10-16-11-19(6-7-20-16)15-4-5-15/h2-3,8,15-16,18H,4-7,9-11H2,1H3/t16-/m0/s1
InChIKeyDTRGJODYHYIYOA-INIZCTEOSA-N
MW278.37 g/mol
LogP2.09
Rot. Bonds5

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

1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine (PubChem CID 124545907) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine
PubChem CID124545907
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine
SMILESCc1cc(F)ccc1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H23FN2O/c1-12-8-14(17)3-2-13(12)9-18-10-16-11-19(6-7-20-16)15-4-5-15/h2-3,8,15-16,18H,4-7,9-11H2,1H3/t16-/m0/s1
InChIKeyDTRGJODYHYIYOA-INIZCTEOSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
(4-Benzylmorpholin-2-ylmethyl)methylamine
CID 51358399
Benzyl-(3-morpholin-4-yl-propyl)-amine
CID 206108
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 651922
(4-Fluoro-benzyl)-(2-morpholin-4-yl-ethyl)-amine
CID 3152376
3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54765508
N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765509

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine (CID 124545907) is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine is Cc1cc(F)ccc1CNC[C@H]1CN(C2CC2)CCO1.
What is the InChIKey of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine?
The InChIKey is DTRGJODYHYIYOA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-8-14(17)3-2-13(12)9-18-10-16-11-19(6-7-20-16)15-4-5-15/h2-3,8,15-16,18H,4-7,9-11H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine?
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-fluoro-2-methylphenyl)methyl]methanamine has a molecular weight of 278.37 g/mol, XLogP of 2.09, 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-[(4-fluoro-2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 124545907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).