(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine

C16H17F2N — CID 28970329

IUPAC(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
SMILESCC[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-2-16(13-6-8-14(17)9-7-13)19-11-12-4-3-5-15(18)10-12/h3-10,16,19H,2,11H2,1H3/t16-/m1/s1
InChIKeyMQNOJJXECXOJTA-MRXNPFEDSA-N
MW261.31 g/mol
LogP4.21
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine

(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 28970329) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
PubChem CID28970329
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
SMILESCC[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-2-16(13-6-8-14(17)9-7-13)19-11-12-4-3-5-15(18)10-12/h3-10,16,19H,2,11H2,1H3/t16-/m1/s1
InChIKeyMQNOJJXECXOJTA-MRXNPFEDSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
4-bromo-2-[1-[(3-fluorophenyl)methylamino]propyl]phenol
CID 43123237
N-[(3-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900017
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine (CID 28970329) is (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine is CC[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is MQNOJJXECXOJTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-16(13-6-8-14(17)9-7-13)19-11-12-4-3-5-15(18)10-12/h3-10,16,19H,2,11H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine?
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 28970329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).