N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

C18H20FNO — CID 107457220

IUPACN-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)ccc2F)cc1
InChIInChI=1S/C18H20FNO/c1-13-2-7-17(8-3-13)21-12-15-10-14(4-9-18(15)19)11-20-16-5-6-16/h2-4,7-10,16,20H,5-6,11-12H2,1H3
InChIKeyKXIIUJKEOMNDQE-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.97
Rot. Bonds6

About N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 107457220) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID107457220
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)ccc2F)cc1
InChIInChI=1S/C18H20FNO/c1-13-2-7-17(8-3-13)21-12-15-10-14(4-9-18(15)19)11-20-16-5-6-16/h2-4,7-10,16,20H,5-6,11-12H2,1H3
InChIKeyKXIIUJKEOMNDQE-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-fluoro-3-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]cyclopropanamine
CID 107457912
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 107457220) is N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is Cc1ccc(OCc2cc(CNC3CC3)ccc2F)cc1.
What is the InChIKey of N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is KXIIUJKEOMNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-2-7-17(8-3-13)21-12-15-10-14(4-9-18(15)19)11-20-16-5-6-16/h2-4,7-10,16,20H,5-6,11-12H2,1H3.
What are the key properties of N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 285.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107457220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).