1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine

C17H19ClFNO — CID 102858107

IUPAC1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFNO/c1-2-14(20)9-12-5-3-7-15(10-12)21-11-13-6-4-8-16(18)17(13)19/h3-8,10,14H,2,9,11,20H2,1H3
InChIKeyLHVRVLUOKXPHPQ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.34
Rot. Bonds6

About 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine

1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 102858107) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID102858107
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H19ClFNO/c1-2-14(20)9-12-5-3-7-15(10-12)21-11-13-6-4-8-16(18)17(13)19/h3-8,10,14H,2,9,11,20H2,1H3
InChIKeyLHVRVLUOKXPHPQ-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-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102858124
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
1-[3-(3,5-dichlorophenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889011

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine (CID 102858107) is 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(OCc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is LHVRVLUOKXPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-14(20)9-12-5-3-7-15(10-12)21-11-13-6-4-8-16(18)17(13)19/h3-8,10,14H,2,9,11,20H2,1H3.
What are the key properties of 1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine?
1-[3-[(3-chloro-2-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-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 102858107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).