3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C18H26BrF3N2 — CID 143494116

IUPAC3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C18H26BrF3N2/c1-3-5-13-6-8-14(9-7-13)12-24(4-2)17-16(19)10-15(11-23-17)18(20,21)22/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyMLVPIQMCMJOIHF-UHFFFAOYSA-N
MW407.32 g/mol
LogP6.30
Rot. Bonds6

About 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 143494116) has the molecular formula C18H26BrF3N2 and a molecular weight of 407.32 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID143494116
Molecular FormulaC18H26BrF3N2
Molecular Weight407.32 g/mol
Exact Mass406.12
IUPAC Name3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C18H26BrF3N2/c1-3-5-13-6-8-14(9-7-13)12-24(4-2)17-16(19)10-15(11-23-17)18(20,21)22/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyMLVPIQMCMJOIHF-UHFFFAOYSA-N
XLogP6.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 163894256
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(cyclopentylmethyl)-N-ethylpyrazin-2-amine
CID 58689753
2-[4-[[[3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-2-pyridinyl]-ethylamino]methyl]cyclohexyl]acetic acid
CID 87141487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 143494116) is 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CCCC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2Br)CC1.
What is the InChIKey of 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MLVPIQMCMJOIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrF3N2/c1-3-5-13-6-8-14(9-7-13)12-24(4-2)17-16(19)10-15(11-23-17)18(20,21)22/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 407.32 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 143494116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).