N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C18H24FNO — CID 2867746

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyHSHPVFMBIHEUDT-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.57
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2867746) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2867746
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3
InChIKeyHSHPVFMBIHEUDT-UHFFFAOYSA-N
XLogP4.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867762
N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867749
(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 7463397
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 2261130
(1R,2S,3S)-2,3-dimethyl-N-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 11905876
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957859
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2867746) is N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is Cc1ccc(C(C)(C)CC(C)NCc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is HSHPVFMBIHEUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 289.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2867746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).