N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine

C18H22FNO — CID 63551446

IUPACN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)11-20-12-15-4-9-18(14(3)10-15)21-17-7-5-16(19)6-8-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeySVOVXWQHUPKADK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.67
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63551446) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63551446
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)11-20-12-15-4-9-18(14(3)10-15)21-17-7-5-16(19)6-8-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeySVOVXWQHUPKADK-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-iodophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552944
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
N-[[3-[(4-fluorophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 66346761
[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
CID 62122969
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine (CID 63551446) is N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine is Cc1cc(CNCC(C)C)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SVOVXWQHUPKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(2)11-20-12-15-4-9-18(14(3)10-15)21-17-7-5-16(19)6-8-17/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63551446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).