N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine

C18H22FNO — CID 43498202

IUPACN-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-16(19)12-14)15-8-9-17(21-3)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyUDHCCRDXRDYADS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

About N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine

N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine (PubChem CID 43498202) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
PubChem CID43498202
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-16(19)12-14)15-8-9-17(21-3)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyUDHCCRDXRDYADS-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43497130
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine (CID 43498202) is N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is UDHCCRDXRDYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-16(19)12-14)15-8-9-17(21-3)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43498202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).