(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine

C18H16BrN — CID 115353742

IUPAC(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C18H16BrN/c1-12-2-4-13(5-3-12)18(20)16-7-6-15-11-17(19)9-8-14(15)10-16/h2-11,18H,20H2,1H3
InChIKeyKSLVZXRVUULDQS-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.96
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine

(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine (PubChem CID 115353742) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
PubChem CID115353742
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C18H16BrN/c1-12-2-4-13(5-3-12)18(20)16-7-6-15-11-17(19)9-8-14(15)10-16/h2-11,18H,20H2,1H3
InChIKeyKSLVZXRVUULDQS-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine
CID 105005615
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
2,6-dibromonaphthalene
CID 640591

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine (CID 115353742) is (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc3cc(Br)ccc3c2)cc1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine?
The InChIKey is KSLVZXRVUULDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-12-2-4-13(5-3-12)18(20)16-7-6-15-11-17(19)9-8-14(15)10-16/h2-11,18H,20H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine?
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine has a molecular weight of 326.24 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 115353742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).