N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine

C14H14Br2N2 — CID 115692975

IUPACN-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(Br)c(Br)c1)c1cccnc1
InChIInChI=1S/C14H14Br2N2/c1-10(12-3-2-6-17-9-12)18-8-11-4-5-13(15)14(16)7-11/h2-7,9-10,18H,8H2,1H3
InChIKeyQEXPFCXPVHKTSV-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.46
Rot. Bonds4

About N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine

N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 115692975) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID115692975
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(Br)c(Br)c1)c1cccnc1
InChIInChI=1S/C14H14Br2N2/c1-10(12-3-2-6-17-9-12)18-8-11-4-5-13(15)14(16)7-11/h2-7,9-10,18H,8H2,1H3
InChIKeyQEXPFCXPVHKTSV-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(4-bromo-3-chlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102978047
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951106
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873
2-fluoro-4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 106699718
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine (CID 115692975) is N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine is CC(NCc1ccc(Br)c(Br)c1)c1cccnc1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is QEXPFCXPVHKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-10(12-3-2-6-17-9-12)18-8-11-4-5-13(15)14(16)7-11/h2-7,9-10,18H,8H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine?
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 370.09 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 115692975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).