(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine

C22H23ClFNO — CID 51992052

IUPAC(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H23ClFNO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(24)12-21(17)23/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m1/s1
InChIKeyOMIUKKDIXAAENE-OAHLLOKOSA-N
MW371.88 g/mol
LogP6.10
Rot. Bonds7

About (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine

(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine (PubChem CID 51992052) has the molecular formula C22H23ClFNO and a molecular weight of 371.88 g/mol. Its IUPAC name is (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
PubChem CID51992052
Molecular FormulaC22H23ClFNO
Molecular Weight371.88 g/mol
Exact Mass371.15
IUPAC Name(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H23ClFNO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(24)12-21(17)23/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m1/s1
InChIKeyOMIUKKDIXAAENE-OAHLLOKOSA-N
XLogP6.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine with MolForge

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Related Compounds

(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
(2R)-N-[[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993891
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66533264
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
CID 94074371
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
(2S)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenylbutan-2-amine
CID 51992178

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The IUPAC name of (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine (CID 51992052) is (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine is CC[C@@H](C)NCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12.
What is the InChIKey of (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The InChIKey is OMIUKKDIXAAENE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23ClFNO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(24)12-21(17)23/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine has a molecular weight of 371.88 g/mol, XLogP of 6.10, 7 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-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine is sourced from PubChem (CID 51992052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).