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

C18H20BrN — CID 104851102

IUPAC(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(Br)cc(C(N)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H20BrN/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyZGEMPIVOQVTGEM-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.68
Rot. Bonds2

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

(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 104851102) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID104851102
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(Br)cc(C(N)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H20BrN/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3
InChIKeyZGEMPIVOQVTGEM-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

(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 104851088
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
1-(3-bromo-5-methylphenyl)prop-2-yn-1-amine
CID 104995623
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 104851102) is (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is Cc1cc(Br)cc(C(N)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is ZGEMPIVOQVTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11,18H,2-5,20H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
(3-bromo-5-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-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 104851102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).