1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine

C17H19ClFNO — CID 102619488

IUPAC1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-2-15(20)10-12-5-3-4-6-17(12)21-11-13-9-14(19)7-8-16(13)18/h3-9,15H,2,10-11,20H2,1H3
InChIKeyJYHMBTCCMAZVJF-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.34
Rot. Bonds6

About 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine

1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 102619488) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID102619488
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-2-15(20)10-12-5-3-4-6-17(12)21-11-13-9-14(19)7-8-16(13)18/h3-9,15H,2,10-11,20H2,1H3
InChIKeyJYHMBTCCMAZVJF-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 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

1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine (CID 102619488) is 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is JYHMBTCCMAZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-15(20)10-12-5-3-4-6-17(12)21-11-13-9-14(19)7-8-16(13)18/h3-9,15H,2,10-11,20H2,1H3.
What are the key properties of 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine?
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-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 1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 102619488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).