N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine

C18H21ClFNO — CID 59768355

IUPACN-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C18H21ClFNO/c1-18(2,3)21-11-14-6-9-17(16(19)10-14)22-12-13-4-7-15(20)8-5-13/h4-10,21H,11-12H2,1-3H3
InChIKeyDSNHUJLKDZNVNV-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.95
Rot. Bonds5

About N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 59768355) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID59768355
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC NameN-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C18H21ClFNO/c1-18(2,3)21-11-14-6-9-17(16(19)10-14)22-12-13-4-7-15(20)8-5-13/h4-10,21H,11-12H2,1-3H3
InChIKeyDSNHUJLKDZNVNV-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
CID 88897804
CID 88897804
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]borane
CID 91869279
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057024
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 59768355) is N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DSNHUJLKDZNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO/c1-18(2,3)21-11-14-6-9-17(16(19)10-14)22-12-13-4-7-15(20)8-5-13/h4-10,21H,11-12H2,1-3H3.
What are the key properties of N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 321.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59768355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).