N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

C16H16ClFN2O — CID 103046450

IUPACN-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)cc1COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H16ClFN2O/c17-12-1-6-16(18)11(7-12)10-21-15-5-4-14(20-9-15)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8,10H2
InChIKeyQTLAHMAYQOWMAJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.71
Rot. Bonds6

About N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 103046450) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID103046450
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)cc1COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H16ClFN2O/c17-12-1-6-16(18)11(7-12)10-21-15-5-4-14(20-9-15)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8,10H2
InChIKeyQTLAHMAYQOWMAJ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 103049291
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781870
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 103046450) is N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Cl)cc1COc1ccc(CNC2CC2)nc1.
What is the InChIKey of N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is QTLAHMAYQOWMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-12-1-6-16(18)11(7-12)10-21-15-5-4-14(20-9-15)8-19-13-2-3-13/h1,4-7,9,13,19H,2-3,8,10H2.
What are the key properties of N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 306.77 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103046450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).