(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine

C16H15F2NO — CID 114521500

IUPAC(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c17-14-7-4-11(9-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2
InChIKeyZBSKJJIESCFMSK-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.55
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine

(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 114521500) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
PubChem CID114521500
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c17-14-7-4-11(9-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2
InChIKeyZBSKJJIESCFMSK-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 103216448
(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741
(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
CID 114521727
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine (CID 114521500) is (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine is NC(c1cccc(OC2CC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is ZBSKJJIESCFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-14-7-4-11(9-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine?
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine has a molecular weight of 275.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 114521500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).