(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

C18H20FN — CID 81379917

IUPAC(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1ccccc1F
InChIInChI=1S/C18H20FN/c1-13(16-7-4-5-9-18(16)19)20-12-15-6-2-3-8-17(15)14-10-11-14/h2-9,13-14,20H,10-12H2,1H3/t13-/m1/s1
InChIKeyQXPZJSGUVXACLU-CYBMUJFWSA-N
MW269.36 g/mol
LogP4.55
Rot. Bonds5

About (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 81379917) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID81379917
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1ccccc1F
InChIInChI=1S/C18H20FN/c1-13(16-7-4-5-9-18(16)19)20-12-15-6-2-3-8-17(15)14-10-11-14/h2-9,13-14,20H,10-12H2,1H3/t13-/m1/s1
InChIKeyQXPZJSGUVXACLU-CYBMUJFWSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 81379917) is (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is C[C@@H](NCc1ccccc1C1CC1)c1ccccc1F.
What is the InChIKey of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is QXPZJSGUVXACLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN/c1-13(16-7-4-5-9-18(16)19)20-12-15-6-2-3-8-17(15)14-10-11-14/h2-9,13-14,20H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 81379917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).