(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C18H20BrN — CID 81471918

IUPAC(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1Br
InChIInChI=1S/C18H20BrN/c1-12-6-7-16(11-17(12)19)18(20)15-9-8-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyXXVJTOPCNUSPOP-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.68
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 81471918) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID81471918
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1Br
InChIInChI=1S/C18H20BrN/c1-12-6-7-16(11-17(12)19)18(20)15-9-8-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyXXVJTOPCNUSPOP-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 81471918) is (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is Cc1ccc(C(N)c2ccc3c(c2)CCCC3)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is XXVJTOPCNUSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-6-7-16(11-17(12)19)18(20)15-9-8-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 330.27 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 81471918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).