(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine

C16H15F2NO — CID 114521611

IUPAC(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H15F2NO/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16H,4-5,19H2
InChIKeyIPHBTKXAEWDHQC-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.55
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine

(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine (PubChem CID 114521611) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
PubChem CID114521611
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H15F2NO/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16H,4-5,19H2
InChIKeyIPHBTKXAEWDHQC-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

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Related Compounds

(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 103216448
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(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
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine (CID 114521611) is (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine is NC(c1cc(F)cc(F)c1)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine?
The InChIKey is IPHBTKXAEWDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16H,4-5,19H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine?
(3-cyclopropyloxyphenyl)-(3,5-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)-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 114521611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).