N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline

C16H23FN2O3 — CID 11709354

IUPACN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
SMILESCC1(C)OC[C@@H](CNc2ccc(N3CCOCC3)c(F)c2)O1
InChIInChI=1S/C16H23FN2O3/c1-16(2)21-11-13(22-16)10-18-12-3-4-15(14(17)9-12)19-5-7-20-8-6-19/h3-4,9,13,18H,5-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyIVQAJBUNBJQHOV-CYBMUJFWSA-N
MW310.37 g/mol
LogP2.23
Rot. Bonds4

About N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline

N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline (PubChem CID 11709354) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
PubChem CID11709354
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
SMILESCC1(C)OC[C@@H](CNc2ccc(N3CCOCC3)c(F)c2)O1
InChIInChI=1S/C16H23FN2O3/c1-16(2)21-11-13(22-16)10-18-12-3-4-15(14(17)9-12)19-5-7-20-8-6-19/h3-4,9,13,18H,5-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyIVQAJBUNBJQHOV-CYBMUJFWSA-N
XLogP2.23
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
CID 66700439
3-fluoro-N-[[3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 67307396
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
1-[[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]cyclohexan-1-ol
CID 69035571
N-[[3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 69039024
(4-tert-butylcyclohexyl)-[6-[(3-fluoro-4-morpholin-4-ylanilino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 69038632
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
3-fluoro-4-morpholin-4-yl-N-[[3-(thiophen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69039009
3-fluoro-4-morpholin-4-yl-N-[[3-[(3,4,5-trimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]aniline
CID 69037340

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline?
The IUPAC name of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline (CID 11709354) is N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline?
The canonical SMILES for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline is CC1(C)OC[C@@H](CNc2ccc(N3CCOCC3)c(F)c2)O1.
What is the InChIKey of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline?
The InChIKey is IVQAJBUNBJQHOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2)21-11-13(22-16)10-18-12-3-4-15(14(17)9-12)19-5-7-20-8-6-19/h3-4,9,13,18H,5-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline?
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline has a molecular weight of 310.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline is sourced from PubChem (CID 11709354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).