2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine

C14H23N3O — CID 83013680

IUPAC2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
SMILESNCC(CCc1ccccc1)NN1CCOCC1
InChIInChI=1S/C14H23N3O/c15-12-14(16-17-8-10-18-11-9-17)7-6-13-4-2-1-3-5-13/h1-5,14,16H,6-12,15H2
InChIKeyZMQKEEWZRUPMMX-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds6

About 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine

2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine (PubChem CID 83013680) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
PubChem CID83013680
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
SMILESNCC(CCc1ccccc1)NN1CCOCC1
InChIInChI=1S/C14H23N3O/c15-12-14(16-17-8-10-18-11-9-17)7-6-13-4-2-1-3-5-13/h1-5,14,16H,6-12,15H2
InChIKeyZMQKEEWZRUPMMX-UHFFFAOYSA-N
XLogP0.78
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
CID 23467801
2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
CID 83011355
(4-methyl-4-morpholin-4-yl-1-phenylpentan-3-yl)hydrazine
CID 105240046
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
2-morpholin-4-yl-4-phenylbutanenitrile
CID 15907702
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
CID 65377491
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884

Frequently Asked Questions

What is the IUPAC name of 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine (CID 83013680) is 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine is NCC(CCc1ccccc1)NN1CCOCC1.
What is the InChIKey of 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine?
The InChIKey is ZMQKEEWZRUPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-12-14(16-17-8-10-18-11-9-17)7-6-13-4-2-1-3-5-13/h1-5,14,16H,6-12,15H2.
What are the key properties of 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine?
2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 83013680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).