(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine

C14H19Br2N — CID 106826771

IUPAC(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cc(Br)ccc2Br)CCCCC1
InChIInChI=1S/C14H19Br2N/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyYOEZZXBDKDUDMH-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.18
Rot. Bonds2

About (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine

(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine (PubChem CID 106826771) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
PubChem CID106826771
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cc(Br)ccc2Br)CCCCC1
InChIInChI=1S/C14H19Br2N/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyYOEZZXBDKDUDMH-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
CID 130553423
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106830353
(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
CID 106826764
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
CID 106827005
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
CID 81142140
(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106826810
methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate
CID 61070207

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine (CID 106826771) is (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine is CC1(C(N)c2cc(Br)ccc2Br)CCCCC1.
What is the InChIKey of (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine?
The InChIKey is YOEZZXBDKDUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-14(7-3-2-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine?
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine has a molecular weight of 361.12 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106826771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).