3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine

C14H21FN2O — CID 117384370

IUPAC3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(4-5-16)12-2-3-14(13(15)10-12)17-6-8-18-9-7-17/h2-3,10-11H,4-9,16H2,1H3
InChIKeyWYJHUFVOCQHWER-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.11
Rot. Bonds4

About 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine

3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine (PubChem CID 117384370) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
PubChem CID117384370
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
SMILESCC(CCN)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(4-5-16)12-2-3-14(13(15)10-12)17-6-8-18-9-7-17/h2-3,10-11H,4-9,16H2,1H3
InChIKeyWYJHUFVOCQHWER-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
(4-Methylbenzyl)(4-morpholin-4-ylphenyl)amine
CID 961186
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
Acetamide, N-(beta-methyl-4-piperidinophenethyl)-2,2,2-trifluoro-
CID 38068
Morpholine, 4-(p-anilinobenzyl)-
CID 100777

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine?
The IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine (CID 117384370) is 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine is CC(CCN)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine?
The InChIKey is WYJHUFVOCQHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(4-5-16)12-2-3-14(13(15)10-12)17-6-8-18-9-7-17/h2-3,10-11H,4-9,16H2,1H3.
What are the key properties of 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine?
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 117384370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).