(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine

C24H25ClFNO — CID 51990859

IUPAC(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H25ClFNO/c1-18(14-15-19-8-3-2-4-9-19)27-16-20-10-5-6-13-24(20)28-17-21-22(25)11-7-12-23(21)26/h2-13,18,27H,14-17H2,1H3/t18-/m1/s1
InChIKeyDWLWJYOVNPKXQV-GOSISDBHSA-N
MW397.92 g/mol
LogP6.17
Rot. Bonds9

About (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine

(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine (PubChem CID 51990859) has the molecular formula C24H25ClFNO and a molecular weight of 397.92 g/mol. Its IUPAC name is (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
PubChem CID51990859
Molecular FormulaC24H25ClFNO
Molecular Weight397.92 g/mol
Exact Mass397.16
IUPAC Name(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H25ClFNO/c1-18(14-15-19-8-3-2-4-9-19)27-16-20-10-5-6-13-24(20)28-17-21-22(25)11-7-12-23(21)26/h2-13,18,27H,14-17H2,1H3/t18-/m1/s1
InChIKeyDWLWJYOVNPKXQV-GOSISDBHSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.92
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51996267
(2S)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenylbutan-2-amine
CID 51992178
(2R)-N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51992816
(2R)-N-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51995669
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211084
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
2-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528448
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine (CID 51990859) is (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine is C[C@H](CCc1ccccc1)NCc1ccccc1OCc1c(F)cccc1Cl.
What is the InChIKey of (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
The InChIKey is DWLWJYOVNPKXQV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClFNO/c1-18(14-15-19-8-3-2-4-9-19)27-16-20-10-5-6-13-24(20)28-17-21-22(25)11-7-12-23(21)26/h2-13,18,27H,14-17H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine?
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine has a molecular weight of 397.92 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 51990859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).