N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine

C16H25FN2O — CID 59028558

IUPACN-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CCN1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-14(2)19(8-7-18-9-11-20-12-10-18)13-15-3-5-16(17)6-4-15/h3-6,14H,7-13H2,1-2H3
InChIKeyCITACLUCJLPSBZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.37
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine

N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine (PubChem CID 59028558) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine
PubChem CID59028558
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CCN1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-14(2)19(8-7-18-9-11-20-12-10-18)13-15-3-5-16(17)6-4-15/h3-6,14H,7-13H2,1-2H3
InChIKeyCITACLUCJLPSBZ-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
3-(2,6-diethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3392124
2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
CID 86799748
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
1-[(4-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)thiourea
CID 4569956
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
1-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4601271
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine (CID 59028558) is N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine is CC(C)N(CCN1CCOCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine?
The InChIKey is CITACLUCJLPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-14(2)19(8-7-18-9-11-20-12-10-18)13-15-3-5-16(17)6-4-15/h3-6,14H,7-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine?
N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 59028558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).