N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

C14H17BrFNO — CID 114118996

IUPACN-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESFc1cccc(CNC2CCOC2C2CC2)c1Br
InChIInChI=1S/C14H17BrFNO/c15-13-10(2-1-3-11(13)16)8-17-12-6-7-18-14(12)9-4-5-9/h1-3,9,12,14,17H,4-8H2
InChIKeyHJHMNZQDBUYTBH-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.25
Rot. Bonds4

About N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 114118996) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID114118996
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESFc1cccc(CNC2CCOC2C2CC2)c1Br
InChIInChI=1S/C14H17BrFNO/c15-13-10(2-1-3-11(13)16)8-17-12-6-7-18-14(12)9-4-5-9/h1-3,9,12,14,17H,4-8H2
InChIKeyHJHMNZQDBUYTBH-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 103580964
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
2-cyclopropyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103923929
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580850
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580888

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 114118996) is N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is Fc1cccc(CNC2CCOC2C2CC2)c1Br.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is HJHMNZQDBUYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-13-10(2-1-3-11(13)16)8-17-12-6-7-18-14(12)9-4-5-9/h1-3,9,12,14,17H,4-8H2.
What are the key properties of N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 314.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 114118996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).