2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine

C17H19ClFNO — CID 103049616

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1CC(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H19ClFNO/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(18)6-7-16(14)19/h2-7,10,12H,8-9,11,20H2,1H3
InChIKeyKRVTVHZOOAPWPV-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds6

About 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine

2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 103049616) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
PubChem CID103049616
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1CC(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H19ClFNO/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(18)6-7-16(14)19/h2-7,10,12H,8-9,11,20H2,1H3
InChIKeyKRVTVHZOOAPWPV-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
4-bromo-2-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-fluorobenzene
CID 66049693
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
[2-(5-chloro-2-fluorophenyl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 103053488
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 62531224
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-4-chloro-2-methylbenzene
CID 114028164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine (CID 103049616) is 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1CC(CN)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is KRVTVHZOOAPWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(18)6-7-16(14)19/h2-7,10,12H,8-9,11,20H2,1H3.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine?
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 103049616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).