N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine

C21H29BrN2 — CID 141159049

IUPACN-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1N1CC=CC=C1Br
InChIInChI=1S/C21H29BrN2/c1-17(15-18-9-3-2-4-10-18)23-16-19-11-5-6-12-20(19)24-14-8-7-13-21(24)22/h5-8,11-13,17-18,23H,2-4,9-10,14-16H2,1H3
InChIKeyRTEDXDOHBFGXAG-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.75
Rot. Bonds6

About N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine

N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine (PubChem CID 141159049) has the molecular formula C21H29BrN2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine
PubChem CID141159049
Molecular FormulaC21H29BrN2
Molecular Weight389.38 g/mol
Exact Mass388.15
IUPAC NameN-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1N1CC=CC=C1Br
InChIInChI=1S/C21H29BrN2/c1-17(15-18-9-3-2-4-10-18)23-16-19-11-5-6-12-20(19)24-14-8-7-13-21(24)22/h5-8,11-13,17-18,23H,2-4,9-10,14-16H2,1H3
InChIKeyRTEDXDOHBFGXAG-UHFFFAOYSA-N
XLogP5.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine
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CID 146001154
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 69154432
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine?
The IUPAC name of N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine (CID 141159049) is N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine.
What is the SMILES notation for N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine?
The canonical SMILES for N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine is CC(CC1CCCCC1)NCc1ccccc1N1CC=CC=C1Br.
What is the InChIKey of N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine?
The InChIKey is RTEDXDOHBFGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2/c1-17(15-18-9-3-2-4-10-18)23-16-19-11-5-6-12-20(19)24-14-8-7-13-21(24)22/h5-8,11-13,17-18,23H,2-4,9-10,14-16H2,1H3.
What are the key properties of N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine?
N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine has a molecular weight of 389.38 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-bromo-2H-pyridin-1-yl)phenyl]methyl]-1-cyclohexylpropan-2-amine is sourced from PubChem (CID 141159049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).