N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine

C17H19BrFNO — CID 106645250

IUPACN-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFNO/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)13-8-6-9-14(18)16(13)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyFXPZHFJVYCSWAP-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.69
Rot. Bonds6

About N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine

N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 106645250) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID106645250
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFNO/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)13-8-6-9-14(18)16(13)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyFXPZHFJVYCSWAP-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 106645250) is N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OC)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is FXPZHFJVYCSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-11-20-17(12-7-4-5-10-15(12)21-2)13-8-6-9-14(18)16(13)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 352.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106645250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).