2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine

C14H22FN3O — CID 90022894

IUPAC2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C14H22FN3O/c15-13-11-12(16)3-4-14(13)17-5-1-2-6-18-7-9-19-10-8-18/h3-4,11,17H,1-2,5-10,16H2
InChIKeyDOOGKBAVPQGCKG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.93
Rot. Bonds6

About 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine

2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine (PubChem CID 90022894) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
PubChem CID90022894
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C14H22FN3O/c15-13-11-12(16)3-4-14(13)17-5-1-2-6-18-7-9-19-10-8-18/h3-4,11,17H,1-2,5-10,16H2
InChIKeyDOOGKBAVPQGCKG-UHFFFAOYSA-N
XLogP1.93
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
3-fluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 43657809
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197
3,4-difluoroaniline;4-(2-piperazin-1-ylethyl)morpholine
CID 158877915

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine (CID 90022894) is 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine is Nc1ccc(NCCCCN2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine?
The InChIKey is DOOGKBAVPQGCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c15-13-11-12(16)3-4-14(13)17-5-1-2-6-18-7-9-19-10-8-18/h3-4,11,17H,1-2,5-10,16H2.
What are the key properties of 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine?
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine has a molecular weight of 267.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 90022894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).