N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C14H17BrFN3 — CID 82800505

IUPACN-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(Br)c1)c1nccn1C
InChIInChI=1S/C14H17BrFN3/c1-3-6-17-13(14-18-7-8-19(14)2)10-4-5-12(16)11(15)9-10/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeySSLYSHOQTLJOFL-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.41
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 82800505) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID82800505
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(Br)c1)c1nccn1C
InChIInChI=1S/C14H17BrFN3/c1-3-6-17-13(14-18-7-8-19(14)2)10-4-5-12(16)11(15)9-10/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeySSLYSHOQTLJOFL-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
N-[(3-bromo-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 82800400
N-[(3-bromo-4-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 82788217
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 79747443
N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 81289391
N-[(2,5-dibromothiophen-3-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114021743
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(3-bromo-4-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79722695
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 82800505) is N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(Br)c1)c1nccn1C.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is SSLYSHOQTLJOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-6-17-13(14-18-7-8-19(14)2)10-4-5-12(16)11(15)9-10/h4-5,7-9,13,17H,3,6H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82800505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).