1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine

C17H18FN — CID 79979256

IUPAC1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C17H18FN/c18-17-9-3-14(4-10-17)12-19-11-13-1-5-15(6-2-13)16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyQULIQNNVRHIASI-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine

1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine (PubChem CID 79979256) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
PubChem CID79979256
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C17H18FN/c18-17-9-3-14(4-10-17)12-19-11-13-1-5-15(6-2-13)16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyQULIQNNVRHIASI-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66616571
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
N-[(2-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 79889960
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185896
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene
CID 20663512
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79979679
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine (CID 79979256) is 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine is Fc1ccc(CNCc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine?
The InChIKey is QULIQNNVRHIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-17-9-3-14(4-10-17)12-19-11-13-1-5-15(6-2-13)16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine?
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine has a molecular weight of 255.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 79979256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).