N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

C17H19ClFNO — CID 102615548

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(19)5-8-17(14)18/h3-9,13,20H,10-11H2,1-2H3
InChIKeyQKXXKRBXOBHPIY-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.34
Rot. Bonds6

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (PubChem CID 102615548) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
PubChem CID102615548
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(19)5-8-17(14)18/h3-9,13,20H,10-11H2,1-2H3
InChIKeyQKXXKRBXOBHPIY-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 79420610
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]benzene-1,2-diol
CID 61319932
2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
CID 107685692
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (CID 102615548) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OCC(C)NCc2cc(F)ccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is QKXXKRBXOBHPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(19)5-8-17(14)18/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 102615548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).