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

C19H24FNO2 — CID 4721448

IUPACN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H24FNO2/c1-19(2,3)21-12-15-6-5-7-17(22-4)18(15)23-13-14-8-10-16(20)11-9-14/h5-11,21H,12-13H2,1-4H3
InChIKeyDZAFIXJDDXEVRH-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.30
Rot. Bonds6

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

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 4721448) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID4721448
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H24FNO2/c1-19(2,3)21-12-15-6-5-7-17(22-4)18(15)23-13-14-8-10-16(20)11-9-14/h5-11,21H,12-13H2,1-4H3
InChIKeyDZAFIXJDDXEVRH-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162182
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 4721701
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine
CID 17214994
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 4721448) is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1cccc(CNC(C)(C)C)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DZAFIXJDDXEVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-19(2,3)21-12-15-6-5-7-17(22-4)18(15)23-13-14-8-10-16(20)11-9-14/h5-11,21H,12-13H2,1-4H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 317.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 4721448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).