N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine

C18H22FN — CID 43494013

IUPACN-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FN/c1-4-10-20-18(15-6-5-7-17(19)12-15)16-9-8-13(2)14(3)11-16/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyQMDABYOPPNANCS-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.53
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 43494013) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID43494013
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FN/c1-4-10-20-18(15-6-5-7-17(19)12-15)16-9-8-13(2)14(3)11-16/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyQMDABYOPPNANCS-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193094
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 43494013) is N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is QMDABYOPPNANCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-10-20-18(15-6-5-7-17(19)12-15)16-9-8-13(2)14(3)11-16/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).