N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

C17H19F2NO — CID 61167924

IUPACN-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-12-3-6-15(7-4-12)21-11-13(2)20-10-14-5-8-16(18)17(19)9-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyFSRPIOASKITBJD-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.83
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (PubChem CID 61167924) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
PubChem CID61167924
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-12-3-6-15(7-4-12)21-11-13(2)20-10-14-5-8-16(18)17(19)9-14/h3-9,13,20H,10-11H2,1-2H3
InChIKeyFSRPIOASKITBJD-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine with MolForge

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Related Compounds

2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
CID 107685692
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
CID 97222553
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 102615548
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 79420610
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (CID 61167924) is N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OCC(C)NCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is FSRPIOASKITBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-3-6-15(7-4-12)21-11-13(2)20-10-14-5-8-16(18)17(19)9-14/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 61167924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).